data_2n03_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 2n03 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.793 0.247 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4418 ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' 4598 ' ' LEU . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4420 ' ' ILE . . . . . 0.42 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4428 ' ' LYS . . . . . 0.652 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.42 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' 4438 ' ' ASN . 16.2 t30 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4453 ' ' ALA . . . . . 0.488 ' HB3' ' HB1' ' A' 4489 ' ' ALA . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.416 ' HB3' ' HB3' ' A' 4418 ' ' ALA . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4462 ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' 4473 ' ' VAL . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 4489 ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' 4453 ' ' ALA . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.512 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4535 ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' 4542 ' ' ARG . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4542 ' ' ARG . . . . . 0.404 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4590 ' ' SER . . . . . 0.435 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4598 ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' 4418 ' ' ALA . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A 4599 ' ' ARG . . . . . 0.435 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.771 0.238 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' 4435 ' ' MET . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.404 ' HE2' HG22 ' A' 4431 ' ' ILE . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.54 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4465 ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4487 ' ' ASN . . . . . 0.404 ' HA ' ' NE2' ' A' 4490 ' ' GLN . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.445 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4490 ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4493 ' ' PHE . . . . . 0.433 ' HB3' ' O ' ' A' 4490 ' ' GLN . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.445 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4528 ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4534 ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' 4560 ' ' GLN . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4562 ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4572 ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A 4580 ' ' LYS . . . . . 0.557 ' HB2' ' HZ2' ' A' 4580 ' ' LYS . 9.8 mtmp? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.729 0.3 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4592 ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.479 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4598 ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' 4598 ' ' LEU . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.481 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.564 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4448 ' ' LEU . . . . . 0.481 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4450 ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' A' 4454 ' ' CYS . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4454 ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' 4450 ' ' GLU . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4465 ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.594 ' N ' HD13 ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4492 ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' 4496 ' ' PHE . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.452 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.5 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' 4536 ' ' GLU . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.419 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.419 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 4550 ' ' GLN . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4548 ' ' ALA . . . . . 0.405 ' HB3' HG22 ' A' 4554 ' ' VAL . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.472 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' 4560 ' ' GLN . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 89.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4591 ' ' MET . . . . . 0.504 ' HB3' HD12 ' A' 4600 ' ' LEU . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' 4594 ' ' GLU . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 4593 ' ' GLU . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4600 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' 4591 ' ' MET . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4604 ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' 4606 ' ' GLN . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A 4606 ' ' GLN . . . . . 0.426 ' HG2' ' HB2' ' A' 4604 ' ' ALA . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' 4438 ' ' ASN . 12.9 t30 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.457 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4497 ' ' GLU . . . . . 0.497 ' HG3' ' HE3' ' A' 4505 ' ' MET . 25.9 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' A' 4497 ' ' GLU . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.42 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' 4550 ' ' GLN . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4592 ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' 4593 ' ' GLU . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.834 0.264 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.558 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.42 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4506 ' ' SER . . . . . 0.427 ' HB3' ' HG3' ' A' 4536 ' ' GLU . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A 4512 ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' 4512 ' ' LYS . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.448 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' 4516 ' ' LEU . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' 4506 ' ' SER . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' 4550 ' ' GLN . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.416 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4572 ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.478 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 4416 ' ' PRO . . . . . 0.429 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.122 0 CA-C-O 120.782 0.242 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4423 ' ' THR . . . . . 0.404 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.405 HG22 ' HE2' ' A' 4435 ' ' MET . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.405 ' HE2' HG22 ' A' 4431 ' ' ILE . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4453 ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' 4489 ' ' ALA . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4455 ' ' THR . . . . . 0.429 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4466 ' ' ARG . . . . . 0.404 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.411 HD21 ' H ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4489 ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' 4453 ' ' ALA . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.754 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.421 ' HE1' ' CD2' ' A' 4515 ' ' TRP . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4507 ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' 4525 ' ' LEU . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' 4516 ' ' LEU . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.421 ' CD2' ' HE1' ' A' 4505 ' ' MET . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' 4510 ' ' ALA . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4525 ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' 4550 ' ' GLN . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' 4547 ' ' GLU . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4562 ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.68 0.276 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4601 ' ' LEU . . . . . 0.42 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 120.769 0.237 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.462 ' HB ' HD22 ' A' 4448 ' ' LEU . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.429 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' 4489 ' ' ALA . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4465 ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4480 ' ' LYS . . . . . 0.409 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.48 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4489 ' ' ALA . . . . . 0.45 ' HB3' ' HB1' ' A' 4453 ' ' ALA . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.48 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.453 ' HE1' ' CE3' ' A' 4515 ' ' TRP . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.453 ' CE3' ' HE1' ' A' 4505 ' ' MET . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.43 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.43 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' 4560 ' ' GLN . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' 4557 ' ' ARG . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4569 ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.741 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4582 ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4592 ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4599 ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' 4440 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4440 ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' 4434 ' ' ALA . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4482 ' ' MET . . . . . 0.482 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' 4491 ' ' LYS . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' 4550 ' ' GLN . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.478 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.834 0.264 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.511 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4446 ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' 4450 ' ' GLU . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4450 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 4446 ' ' GLN . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4467 ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4468 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.405 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.44 ' O ' HG22 ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.409 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.434 ' HE1' ' CH2' ' A' 4515 ' ' TRP . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.434 ' CH2' ' HE1' ' A' 4505 ' ' MET . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4521 ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4524 ' ' PHE . . . . . 0.481 ' CE2' ' HA2' ' A' 4521 ' ' GLY . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4525 ' ' LEU . . . . . 0.488 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4528 ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' 4557 ' ' ARG . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4562 ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' 4525 ' ' LEU . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.436 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4586 ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4596 ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' 4598 ' ' LEU . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4598 ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4599 ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4600 ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.75 0.229 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4425 ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4427 ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.596 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.596 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4451 ' ' ALA . . . . . 0.506 ' O ' ' SG ' ' A' 4454 ' ' CYS . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4452 ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4453 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4454 ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4457 ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.407 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4462 ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4466 ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 4453 ' ' ALA . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.447 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4521 ' ' GLY . . . . . 0.447 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4524 ' ' PHE . . . . . 0.43 ' O ' ' HG3' ' A' 4528 ' ' GLN . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4528 ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4534 ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.463 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4543 ' ' VAL . . . . . 0.463 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4544 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.401 HG23 HG13 ' A' 4554 ' ' VAL . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.401 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4569 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.448 ' O ' ' HG ' ' A' 4587 ' ' LEU . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.424 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4597 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4598 ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4600 ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.809 0.254 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 4440 ' ' VAL . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.469 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4440 ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.452 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4462 ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4466 ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4487 ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 4504 ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.763 0.316 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4506 ' ' SER . . . . . 0.439 ' HB2' ' HG3' ' A' 4536 ' ' GLU . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.434 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' 4506 ' ' SER . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' 4550 ' ' GLN . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.44 HG23 HG13 ' A' 4554 ' ' VAL . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' 4560 ' ' GLN . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.619 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4600 ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 4416 ' ' PRO . . . . . 0.453 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' 4435 ' ' MET . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.536 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.433 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4440 ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4455 ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.507 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4487 ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.441 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.511 ' CD1' ' C ' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 95.8 mm-40 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4528 ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4534 ' ' LEU . . . . . 0.418 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' 4547 ' ' GLU . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' 4560 ' ' GLN . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4598 ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.92 0.3 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.42 HD22 ' O ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4428 ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4432 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.614 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.5 t60 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.472 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4449 ' ' LEU . . . . . 0.445 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4467 ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4468 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.436 HG21 HG22 ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.447 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A 4478 ' ' VAL . . . . . 0.445 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4487 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' 4511 ' ' LEU . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.558 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4517 ' ' TYR . . . . . 0.558 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.485 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' 4536 ' ' GLU . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.419 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' 4550 ' ' GLN . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4548 ' ' ALA . . . . . 0.4 ' HB1' HG22 ' A' 4554 ' ' VAL . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.507 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.507 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' 4560 ' ' GLN . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4592 ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' 4593 ' ' GLU . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.856 0.274 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.57 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.57 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4467 ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4468 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4480 ' ' LYS . . . . . 0.483 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.437 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.419 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.419 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4508 ' ' ALA . . . . . 0.423 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4525 ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' 4508 ' ' ALA . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4530 ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' 4583 ' ' TYR . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.55 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.425 HG23 HG13 ' A' 4554 ' ' VAL . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' 4560 ' ' GLN . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.412 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' 4557 ' ' ARG . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.719 ' CG ' ' O ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.451 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.791 0.246 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4454 ' ' CYS . . . . . 0.417 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.853 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.437 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4517 ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4519 ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4521 ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4524 ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4528 ' ' GLN . . . . . 0.757 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.437 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' 4560 ' ' GLN . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.593 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4572 ' ' LEU . . . . . 0.457 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4592 ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4594 ' ' GLU . . . . . 0.479 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A 4604 ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4605 ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' 4606 ' ' GLN . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A 4606 ' ' GLN . . . . . 0.617 ' OXT' ' HG3' ' A' 4606 ' ' GLN . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' 4439 ' ' LEU . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4469 ' ' VAL . . . . . 0.451 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.451 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.436 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.436 HG13 HG23 ' A' 4553 ' ' THR . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.724 0.297 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4421 ' ' LEU . . . . . 0.415 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.454 HG22 ' HE2' ' A' 4435 ' ' MET . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.454 ' HE2' HG22 ' A' 4431 ' ' ILE . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.426 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4453 ' ' ALA . . . . . 0.453 ' HB2' ' HB1' ' A' 4489 ' ' ALA . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4460 ' ' ASP . . . . . 0.459 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4475 ' ' LYS . . . . . 0.442 ' O ' ' HG2' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4489 ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' 4453 ' ' ALA . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4572 ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' 4581 ' ' ILE . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A 4580 ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4602 ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.82 0.258 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4431 ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' 4435 ' ' MET . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4435 ' ' MET . . . . . 0.404 ' HE2' HG22 ' A' 4431 ' ' ILE . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.441 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.406 ' HG ' HD11 ' A' 4516 ' ' LEU . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.409 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4495 ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4516 ' ' LEU . . . . . 0.406 HD11 ' HG ' ' A' 4488 ' ' LEU . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4543 ' ' VAL . . . . . 0.423 ' HA ' ' HD3' ' A' 4544 ' ' PRO . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4544 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 4550 ' ' GLN . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' 4560 ' ' GLN . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' 4571 ' ' TYR . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4571 ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' 4570 ' ' LYS . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.451 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A 4606 ' ' GLN . . . . . 0.467 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4416 ' ' PRO . . . . . 0.44 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.835 0.265 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.409 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4428 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' 4440 ' ' VAL . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' 4438 ' ' ASN . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' 4437 ' ' ARG . 0.5 OUTLIER 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4439 ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' 4422 ' ' ASP . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4440 ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' 4434 ' ' ALA . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4448 ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4455 ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4459 ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4461 ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4462 ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4466 ' ' ARG . . . . . 0.431 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4472 ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4473 ' ' VAL . . . . . 0.45 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4477 ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4483 ' ' VAL . . . . . 0.45 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4487 ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4488 ' ' LEU . . . . . 0.475 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4491 ' ' LYS . . . . . 0.475 ' HE3' HD12 ' A' 4488 ' ' LEU . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 4505 ' ' MET . . . . . 0.472 ' HE1' ' CE3' ' A' 4515 ' ' TRP . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4515 ' ' TRP . . . . . 0.481 ' CD1' ' C ' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4522 ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' 4526 ' ' GLU . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4526 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 4522 ' ' GLN . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4537 ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4539 ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4540 ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4553 ' ' THR . . . . . 0.464 HG21 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4554 ' ' VAL . . . . . 0.464 HG13 HG21 ' A' 4553 ' ' THR . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' 4560 ' ' GLN . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4565 ' ' VAL . . . . . 0.43 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4568 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A 4580 ' ' LYS . . . . . 0.43 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4583 ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.518 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4587 ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 4416 ' ' PRO . . . . . 0.569 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.923 0.301 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4417 ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4426 ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4434 ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4436 ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4437 ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4438 ' ' ASN . . . . . 0.484 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4451 ' ' ALA . . . . . 0.447 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4458 ' ' ILE . . . . . 0.429 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4486 ' ' ILE . . . . . 0.429 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4492 ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' A' 4496 ' ' PHE . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4496 ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' 4492 ' ' ALA . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 33.9 ttpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4510 ' ' ALA . . . . . 0.472 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4511 ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4513 ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4514 ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4527 ' ' VAL . . . . . 0.447 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4536 ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' 4538 ' ' ASP . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4538 ' ' ASP . . . . . 0.41 ' HB3' ' OE2' ' A' 4536 ' ' GLU . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4545 ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4547 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 4550 ' ' GLN . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4550 ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4557 ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' 4560 ' ' GLN . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4559 ' ' ALA . . . . . 0.412 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4560 ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4570 ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A 4581 ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4585 ' ' ASP . . . . . 0.472 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4586 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4601 ' ' LEU . . . . . 0.462 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.405 ' HB3' ' HB3' ' A' 4397 ' ' HIS . 70.4 mtm . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.468 ' HA3' HG21 ' A' 4443 ' ' ILE . . . -110.22 -77.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -166.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -103.86 -101.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 -157.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -100.5 -60.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -164.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.2 -34.27 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.405 ' HB3' ' HB3' ' A' 4392 ' ' MET . 73.2 m80 -101.34 -73.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -168.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4398 ' ' HIS . . . . . 0.581 ' CG ' ' H ' ' A' 4399 ' ' HIS . 24.6 t60 -104.47 -164.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -171.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.581 ' H ' ' CG ' ' A' 4398 ' ' HIS . 96.7 m-70 -68.75 151.07 47.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 72.4 p -136.71 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 25.6 p80 -67.36 179.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.46 160.09 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -164.75 -175.79 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 62.5 tp -82.06 104.32 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -135.05 -64.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 87.2 p -174.99 164.59 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 6.3 t90 -138.85 88.46 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 84.3 p -164.76 -179.01 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.2 t0 68.08 85.06 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.488 0.661 . . . . 0.0 110.881 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -56.2 171.4 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 61.8 p -126.68 75.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -95.23 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 57.11 63.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 68.7 p -116.56 -177.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 164.14 169.74 28.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.06 134.89 22.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4418 ' ' ALA . . . . . 0.541 ' HB2' ' HB2' ' A' 4598 ' ' LEU . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4420 ' ' ILE . . . . . 0.42 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.453 ' C ' HD23 ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4428 ' ' LYS . . . . . 0.652 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.42 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.466 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' 4438 ' ' ASN . 16.2 t30 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4443 ' ' ILE . . . . . 0.468 HG21 ' HA3' ' A' 4393 ' ' GLY . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4453 ' ' ALA . . . . . 0.488 ' HB3' ' HB1' ' A' 4489 ' ' ALA . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.416 ' HB3' ' HB3' ' A' 4418 ' ' ALA . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4462 ' ' SER . . . . . 0.404 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.48 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.693 HD22 ' O ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' 4473 ' ' VAL . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.446 ' O ' HG22 ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.512 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 4489 ' ' ALA . . . . . 0.488 ' HB1' ' HB3' ' A' 4453 ' ' ALA . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.12 126.02 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -66.49 130.77 94.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 110.942 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.87 62.3 6.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.236 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 37.8 ptt180 -165.08 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 -173.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 1.8 t -95.64 -28.63 14.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 56.46 60.17 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 82.6 p -72.12 -17.52 61.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt 49.9 78.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.443 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.407 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.407 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.512 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4535 ' ' ILE . . . . . 0.404 HG12 ' HB3' ' A' 4542 ' ' ARG . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.485 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.485 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4542 ' ' ARG . . . . . 0.404 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.42 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.501 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.501 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.42 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m -112.87 128.65 56.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.53 ' SG ' HD13 ' A' 4581 ' ' ILE . 88.6 m -84.74 163.22 47.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 172.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.64 -62.26 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.431 ' O ' ' HB ' ' A' 4577 ' ' THR . 88.6 tttt -156.33 109.5 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.47 ' O ' ' HB2' ' A' 4578 ' ' LYS . 11.2 t 175.67 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.603 ' O ' ' HB2' ' A' 4579 ' ' LEU . 88.1 tttt 172.99 -37.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.603 ' HB2' ' O ' ' A' 4578 ' ' LYS . 11.1 mp 71.64 -58.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.81 93.49 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.586 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.458 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.586 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4590 ' ' SER . . . . . 0.435 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4598 ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' 4418 ' ' ALA . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A 4599 ' ' ARG . . . . . 0.435 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.476 ' H3 ' HG21 ' A' 4470 ' ' THR . 98.2 mmm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.7 -92.95 0.29 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -147.86 -138.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -170.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -62.3 108.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -169.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.545 ' O ' ' HB3' ' A' 4397 ' ' HIS . 32.9 m170 -138.32 130.09 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.578 ' O ' ' HB2' ' A' 4398 ' ' HIS . 32.3 p80 165.5 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -171.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4398 ' ' HIS . . . . . 0.578 ' HB2' ' O ' ' A' 4397 ' ' HIS . 70.3 t60 175.86 156.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 168.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.468 ' HA ' ' HB2' ' A' 4492 ' ' ALA . 30.4 m170 -96.05 38.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4400 ' ' SER . . . . . 0.453 ' HB3' ' O ' ' A' 4399 ' ' HIS . 83.7 p -176.4 169.75 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 168.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -59.47 113.42 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 54.9 ttm -160.19 156.94 27.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -138.69 104.57 5.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 82.8 mt -140.03 148.96 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -131.19 16.89 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.7 p -167.41 167.79 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -135.04 102.11 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.0 t -103.48 121.05 42.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.43 ' CB ' ' CD ' ' A' 4410 ' ' PRO . 1.6 p-10 -154.32 177.02 2.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.803 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.43 ' CD ' ' CB ' ' A' 4409 ' ' ASP . 36.9 Cg_exo -63.91 -179.54 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 178.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 81.9 p -74.5 -18.13 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -101.45 111.73 24.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -110.24 -40.23 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 67.6 p 44.87 -129.87 0.99 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 74.95 -151.06 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.475 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.99 156.02 30.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' 4435 ' ' MET . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.405 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.404 ' HE2' HG22 ' A' 4431 ' ' ILE . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.54 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.54 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.405 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.453 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4465 ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4470 ' ' THR . . . . . 0.476 HG21 ' H3 ' ' A' 4392 ' ' MET . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4487 ' ' ASN . . . . . 0.404 ' HA ' ' NE2' ' A' 4490 ' ' GLN . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.445 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4490 ' ' GLN . . . . . 0.433 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4492 ' ' ALA . . . . . 0.468 ' HB2' ' HA ' ' A' 4399 ' ' HIS . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4493 ' ' PHE . . . . . 0.436 ' HB2' ' N ' ' A' 4398 ' ' HIS . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.26 155.4 46.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -89.27 149.67 43.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.51 0.672 . . . . 0.0 110.935 175.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.423 ' O ' ' HB3' ' A' 4500 ' ' ARG . 84.7 Cg_endo -75.04 63.62 6.04 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 177.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.423 ' HB3' ' O ' ' A' 4499 ' ' PRO . 41.3 ptt180 175.0 -34.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -168.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 54.4 p -98.59 -41.38 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 175.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.0 35.45 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.51 HG21 ' SD ' ' A' 4505 ' ' MET . 5.5 t -101.86 -22.28 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 -176.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt 66.6 126.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.51 ' SD ' HG21 ' A' 4503 ' ' THR . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.445 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4528 ' ' GLN . . . . . 0.413 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4534 ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.413 ' O ' ' HG2' ' A' 4560 ' ' GLN . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4562 ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4572 ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m -95.51 138.15 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.609 ' HB3' ' HD3' ' A' 4575 ' ' PRO . 20.2 t -162.35 -48.92 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 175.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.609 ' HD3' ' HB3' ' A' 4574 ' ' CYS . 35.5 Cg_endo -77.96 155.36 30.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 173.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -96.27 -9.06 31.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 81.2 p -112.51 -25.41 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' 4580 ' ' LYS . 75.7 mmtt -110.11 -26.49 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 9.8 mp 53.46 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4580 ' ' LYS . . . . . 0.557 ' HB2' ' HZ2' ' A' 4580 ' ' LYS . 9.8 mtmp? -71.55 110.67 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -172.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.443 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4592 ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.479 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4598 ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' 4598 ' ' LEU . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4603 ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' 4574 ' ' CYS . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.695 ' HA ' ' NH2' ' A' 4447 ' ' ARG . 99.3 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -70.07 146.59 43.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4395 ' ' HIS . 95.3 m-70 -113.61 120.69 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.868 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' 4394 ' ' HIS . 53.4 p-80 177.84 172.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.787 163.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 84.0 t60 -96.18 113.94 25.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.413 ' NE2' ' HB3' ' A' 4399 ' ' HIS . 80.9 t60 -175.69 142.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -140.53 88.14 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.413 ' HB3' ' NE2' ' A' 4397 ' ' HIS . 66.3 t-80 -172.7 121.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 40.8 t -164.98 140.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -172.19 138.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 172.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 28.2 ptm -176.6 168.64 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -148.31 153.55 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -153.13 167.69 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.62 -66.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 9.2 t 64.07 -163.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -154.5 -45.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 8.9 t 64.58 -165.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -158.58 65.1 2.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -76.6 151.69 32.76 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.737 2.291 . . . . 0.0 112.386 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.8 p -112.66 -72.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4412 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4413 ' ' GLU . 88.6 tt0 -156.13 -65.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 168.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4413 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4412 ' ' GLU . 26.3 tp10 55.09 114.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -113.58 92.68 4.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.52 175.63 38.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.566 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.93 170.45 18.83 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.382 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.481 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.48 ' HB3' HD13 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.564 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.564 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.4 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4443 ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' 4392 ' ' MET . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4447 ' ' ARG . . . . . 0.695 ' NH2' ' HA ' ' A' 4392 ' ' MET . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4448 ' ' LEU . . . . . 0.481 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4450 ' ' GLU . . . . . 0.415 ' O ' ' SG ' ' A' 4454 ' ' CYS . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4454 ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' 4450 ' ' GLU . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.501 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4465 ' ' GLU . . . . . 0.501 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.437 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.594 ' N ' HD13 ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.459 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.459 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4492 ' ' ALA . . . . . 0.4 ' HA ' ' CE2' ' A' 4496 ' ' PHE . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.51 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.14 116.71 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4498 ' ' ASP . . . . . 0.44 ' HB3' ' HD2' ' A' 4499 ' ' PRO . 92.9 m-20 -117.25 156.64 48.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.803 -177.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.511 ' O ' ' HB2' ' A' 4500 ' ' ARG . 38.9 Cg_endo -64.96 157.71 55.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.398 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.511 ' HB2' ' O ' ' A' 4499 ' ' PRO . 93.1 mtt-85 77.23 -2.73 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4501 ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' 4502 ' ' LYS . 5.8 p -137.11 -43.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4502 ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' 4501 ' ' THR . 32.1 mmmt 35.83 77.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.0 t -157.73 -175.58 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.65 153.6 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.452 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.452 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.5 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.5 ' HD2' ' HB3' ' A' 4536 ' ' GLU . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.406 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.419 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.419 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.488 ' O ' ' HG2' ' A' 4550 ' ' GLN . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4548 ' ' ALA . . . . . 0.405 ' HB3' HG22 ' A' 4554 ' ' VAL . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.488 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.472 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.472 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.408 ' O ' ' HG2' ' A' 4560 ' ' GLN . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.479 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 89.8 m -81.16 118.26 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.413 ' HB3' ' H ' ' A' 4579 ' ' LEU . 48.7 t -69.09 127.9 92.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 110.829 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -75.54 73.4 4.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -170.95 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 50.6 p -131.58 13.35 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 173.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.5 mttt 61.12 61.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 172.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.413 ' H ' ' HB3' ' A' 4574 ' ' CYS . 39.5 mt -117.65 169.06 9.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.04 105.44 12.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4591 ' ' MET . . . . . 0.504 ' HB3' HD12 ' A' 4600 ' ' LEU . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.424 ' O ' ' HB2' ' A' 4594 ' ' GLU . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.424 ' HB2' ' O ' ' A' 4593 ' ' GLU . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4600 ' ' LEU . . . . . 0.504 HD12 ' HB3' ' A' 4591 ' ' MET . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4604 ' ' ALA . . . . . 0.426 ' HB2' ' HG2' ' A' 4606 ' ' GLN . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A 4606 ' ' GLN . . . . . 0.426 ' HG2' ' HB2' ' A' 4604 ' ' ALA . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.424 ' HA ' HG12 ' A' 4483 ' ' VAL . 72.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 53.61 -110.58 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 169.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -127.07 17.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.833 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.555 ' O ' ' C ' ' A' 4396 ' ' HIS . 97.5 m-70 -105.91 -148.68 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -159.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' 4395 ' ' HIS . 61.0 t-80 -29.13 126.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 -168.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.35 -122.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -84.25 96.57 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 81.9 t60 -152.43 124.35 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 89.5 p -124.71 166.97 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.22 161.89 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 98.6 mmm -96.92 -127.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -72.16 166.6 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.984 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.01 179.23 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 56.93 53.69 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 13.3 t -90.53 -160.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.2 m95 -91.01 129.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 89.5 p -164.6 163.08 21.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -148.97 104.7 3.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.95 120.12 7.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.74 2.293 . . . . 0.0 112.279 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 10.7 t -170.65 148.2 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.16 -55.91 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 63.52 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.4 p -85.37 172.26 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -165.12 -156.66 9.22 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.16 -177.02 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.669 2.246 . . . . 0.0 112.268 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.497 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.557 ' ND2' ' O ' ' A' 4438 ' ' ASN . 12.9 t30 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.457 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.424 HG12 ' HA ' ' A' 4392 ' ' MET . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.467 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4497 ' ' GLU . . . . . 0.497 ' HG3' ' HE3' ' A' 4505 ' ' MET . 25.9 mt-10 -47.95 133.93 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.93 153.35 39.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.27 76.66 2.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -165.13 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 68.8 p -118.28 -34.29 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 45.08 79.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 7.7 t -73.74 -11.71 60.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.197 -171.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt 61.66 66.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.497 ' HE3' ' HG3' ' A' 4497 ' ' GLU . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.4 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.509 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.4 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.453 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.42 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.432 ' O ' ' HG2' ' A' 4550 ' ' GLN . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.432 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.467 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m -108.24 126.74 53.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 51.1 t -82.31 131.69 55.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 176.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.49 109.09 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -177.65 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.441 HG23 ' O ' ' A' 4577 ' ' THR . 11.8 t -176.72 44.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.068 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.9 mttt 62.81 61.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 97.4 mt -96.47 99.38 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.44 111.82 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4592 ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.452 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' 4593 ' ' GLU . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.428 ' O ' ' NE2' ' A' 4395 ' ' HIS . 99.1 mmm . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.72 53.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 160.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -83.46 65.86 8.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.855 0.36 . . . . 0.0 110.806 -172.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' 4392 ' ' MET . 32.1 p80 -164.93 171.09 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 168.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.62 141.07 46.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -158.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -152.87 141.09 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 168.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -151.54 43.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 70.8 t60 -145.8 113.93 6.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -172.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 91.5 p -165.88 156.88 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4401 ' ' HIS . . . . . 0.403 ' O ' ' HB3' ' A' 4402 ' ' MET . 96.6 m-70 -138.84 56.64 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -176.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4402 ' ' MET . . . . . 0.403 ' HB3' ' O ' ' A' 4401 ' ' HIS . 28.1 ptm -174.75 159.19 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 168.42 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.85 133.37 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 171.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -146.67 178.35 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -102.06 -78.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 92.7 p -150.09 171.76 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.0 m95 -100.06 26.87 6.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.968 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 87.8 p -79.2 172.65 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.67 84.08 14.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.16 114.3 3.72 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 85.3 m -124.17 102.61 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -150.42 97.54 2.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.99 90.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 54.4 p -152.99 172.28 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 130.57 167.55 12.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 166.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.08 -167.51 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.766 2.311 . . . . 0.0 112.287 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.558 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.558 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.42 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.489 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -164.1 145.36 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -113.83 138.35 22.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.13 81.64 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.393 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 176.15 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -167.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.2 t -125.29 -32.3 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 44.51 59.8 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.8 t -106.52 -28.69 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 -164.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.24 51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4506 ' ' SER . . . . . 0.427 ' HB3' ' HG3' ' A' 4536 ' ' GLU . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.448 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A 4512 ' ' LYS . . . . . 0.401 ' HA ' ' HD3' ' A' 4512 ' ' LYS . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.448 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' 4516 ' ' LEU . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.427 ' HG3' ' HB3' ' A' 4506 ' ' SER . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.477 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.477 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.462 ' O ' ' HG2' ' A' 4550 ' ' GLN . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.444 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.444 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.416 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4572 ' ' LEU . . . . . 0.416 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m -100.93 129.1 46.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 40.5 t -135.85 138.14 27.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -62.48 117.83 4.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.7 tttt -165.0 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.432 HG23 ' HG3' ' A' 4578 ' ' LYS . 15.3 t -174.98 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.249 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.9 mttt -107.58 -22.57 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.537 ' HB2' ' O ' ' A' 4578 ' ' LYS . 11.0 mp 72.26 -62.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 173.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.46 112.95 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.478 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 115.23 163.31 13.95 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -166.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -149.09 -45.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -179.26 131.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -149.37 63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 53.7 t60 -158.06 162.22 38.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.86 108.9 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 172.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -89.54 173.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 88.7 p -157.26 172.47 18.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.56 137.96 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mmm -125.06 -162.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -83.22 -170.84 3.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -168.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.02 170.05 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 67.7 m -111.72 19.06 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -154.98 155.85 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 42.0 t -156.78 121.73 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -155.02 99.41 2.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.497 ' O ' ' HB ' ' A' 4411 ' ' THR . 87.2 Cg_endo -79.58 -176.05 3.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4411 ' ' THR . . . . . 0.497 ' HB ' ' O ' ' A' 4410 ' ' PRO . 31.1 m 81.46 -98.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 171.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 45.02 58.53 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -83.82 89.32 7.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 74.3 p -123.39 38.76 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.242 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -66.77 143.89 44.39 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -171.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.429 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo -84.93 -152.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.42 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4423 ' ' THR . . . . . 0.404 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.405 HG22 ' HE2' ' A' 4435 ' ' MET . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.405 ' HE2' HG22 ' A' 4431 ' ' ILE . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.52 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.52 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4453 ' ' ALA . . . . . 0.417 ' HB2' ' HB3' ' A' 4489 ' ' ALA . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4455 ' ' THR . . . . . 0.429 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.404 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4466 ' ' ARG . . . . . 0.404 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.524 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.411 HD21 ' H ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4489 ' ' ALA . . . . . 0.417 ' HB3' ' HB2' ' A' 4453 ' ' ALA . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.419 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 66.03 -175.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 55.3 p30 -126.89 147.26 60.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.527 0.68 . . . . 0.0 110.849 168.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -75.07 80.69 2.39 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -175.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.479 ' HG3' HG23 ' A' 4501 ' ' THR . 33.1 ptt180 175.15 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4501 ' ' THR . . . . . 0.479 HG23 ' HG3' ' A' 4500 ' ' ARG . 28.5 p -123.11 -40.04 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 30.4 mmmt 61.85 94.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' 4504 ' ' LYS . 40.3 m -76.93 -26.23 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -165.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' A' 4503 ' ' THR . 75.9 mmtt 66.7 70.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.421 ' HE1' ' CD2' ' A' 4515 ' ' TRP . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4507 ' ' ALA . . . . . 0.428 ' HB1' HD21 ' A' 4525 ' ' LEU . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.51 ' HB2' ' HB3' ' A' 4516 ' ' LEU . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.421 ' CD2' ' HE1' ' A' 4505 ' ' MET . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.51 ' HB3' ' HB2' ' A' 4510 ' ' ALA . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4525 ' ' LEU . . . . . 0.428 HD21 ' HB1' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.429 ' O ' ' HG2' ' A' 4550 ' ' GLN . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' 4547 ' ' GLU . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.449 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.449 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4562 ' ' LEU . . . . . 0.508 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p -114.89 133.81 55.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' 4575 ' ' PRO . 71.3 m -133.08 138.25 31.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 172.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.492 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.5 Cg_exo -55.04 138.67 79.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.268 . . . . 0.0 112.277 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.492 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.8 tttt 174.99 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.442 HG23 ' HG2' ' A' 4578 ' ' LYS . 14.2 t -174.96 -25.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 173.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.532 ' O ' ' HB2' ' A' 4579 ' ' LEU . 75.4 mmtt -101.83 -21.03 14.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' 4578 ' ' LYS . 10.9 mp 65.56 -66.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -173.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.54 116.48 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4601 ' ' LEU . . . . . 0.42 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -73.93 129.59 11.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.54 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.91 -170.6 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.911 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 78.2 m80 -62.17 76.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -126.81 171.18 11.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -86.9 115.78 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.9 101.62 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -147.45 71.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 34.5 t -136.96 107.1 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -164.7 -2.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.43 166.8 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -141.24 74.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.5 165.01 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.87 -82.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 83.7 p -174.0 -177.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.2 m95 -128.35 68.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 38.2 t -169.98 139.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.7 t0 -154.31 104.36 2.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 110.836 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.34 -167.3 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 43.0 p -110.74 -94.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4412 ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' 4413 ' ' GLU . 97.1 mt-10 62.47 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4413 ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' 4412 ' ' GLU . 84.4 mt-10 71.43 26.72 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 40.2 p -124.83 174.53 7.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 144.85 -146.95 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.369 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.77 -175.49 1.9 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.689 2.259 . . . . 0.0 112.398 -175.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.462 ' HB ' HD22 ' A' 4448 ' ' LEU . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.429 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.598 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.598 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.429 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB1' ' HB3' ' A' 4489 ' ' ALA . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.456 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4465 ' ' GLU . . . . . 0.456 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.454 ' O ' HD23 ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4480 ' ' LYS . . . . . 0.409 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.41 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.48 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4489 ' ' ALA . . . . . 0.45 ' HB3' ' HB1' ' A' 4453 ' ' ALA . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.48 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -169.18 168.28 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -64.5 116.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.941 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.483 ' O ' ' HB3' ' A' 4500 ' ' ARG . 73.5 Cg_endo -77.84 73.05 5.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.602 2.202 . . . . 0.0 112.451 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.483 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.0 ptt180 175.14 -34.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.7 t -124.4 -21.59 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 65.0 125.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' 4504 ' ' LYS . 44.0 p -125.68 -30.25 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -172.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.408 ' HB2' ' O ' ' A' 4503 ' ' THR . 99.0 mttt 65.01 -74.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.453 ' HE1' ' CE3' ' A' 4515 ' ' TRP . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.431 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.453 ' CE3' ' HE1' ' A' 4505 ' ' MET . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.431 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.43 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.43 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.43 ' O ' ' HG2' ' A' 4560 ' ' GLN . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.431 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' 4557 ' ' ARG . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4569 ' ' SER . . . . . 0.557 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.741 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m -92.29 124.0 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 49.6 t -93.6 144.25 27.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.955 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.66 -11.12 31.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.605 2.204 . . . . 0.0 112.349 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.9 -179.94 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 82.0 p -68.83 -20.2 64.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -93.8 76.73 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.64 -56.09 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -73.55 111.52 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4582 ' ' SER . . . . . 0.423 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4592 ' ' VAL . . . . . 0.497 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.497 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4599 ' ' ARG . . . . . 0.439 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 68.7 mtp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 56.87 57.99 16.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.439 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -127.68 160.32 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -129.8 -33.59 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -165.164 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -114.92 -124.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 -165.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.93 113.87 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -166.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -125.52 110.99 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.35 -7.41 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -165.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 38.8 t 59.95 -118.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 66.64 66.52 0.45 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -172.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.32 159.86 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -109.98 176.68 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.72 159.06 26.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -91.48 59.96 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 166.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 22.7 t 60.21 -120.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.02 73.68 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 92.3 p -134.14 11.47 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.407 ' HA ' ' HD3' ' A' 4410 ' ' PRO . 43.2 p30 -83.95 165.58 38.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' 4409 ' ' ASP . 14.9 Cg_exo -83.66 7.61 5.1 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 -169.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4411 ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' 4412 ' ' GLU . 62.7 p -73.26 -170.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -162.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4412 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 4411 ' ' THR . 7.2 pm0 -31.77 119.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -164.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.35 149.48 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.2 p -90.7 -108.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -170.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4415 ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' 4416 ' ' PRO . . . -54.12 -46.5 70.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -160.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' 4415 ' ' GLY . 18.9 Cg_exo -46.17 143.03 8.05 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.58 2.187 . . . . 0.0 112.349 -168.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.441 ' HB1' HG22 ' A' 4440 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4440 ' ' VAL . . . . . 0.441 HG22 ' HB1' ' A' 4434 ' ' ALA . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.419 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.569 ' O ' HD23 ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4482 ' ' MET . . . . . 0.482 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.482 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.438 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.438 ' HA ' ' HB3' ' A' 4491 ' ' LYS . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 43.54 60.36 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.4 p30 -75.88 167.08 39.89 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.517 0.675 . . . . 0.0 110.919 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.5 ' O ' ' HB2' ' A' 4500 ' ' ARG . 36.8 Cg_exo -60.75 -179.87 0.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.346 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.5 ' HB2' ' O ' ' A' 4499 ' ' PRO . 98.5 mtt180 77.13 -48.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 -39.79 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -171.767 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 46.2 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 174.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.9 t -133.19 160.7 36.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -93.35 127.2 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.447 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.447 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.413 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.479 ' O ' ' HG2' ' A' 4550 ' ' GLN . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.479 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.413 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4573 ' ' THR . . . . . 0.418 ' HA ' ' O ' ' A' 4579 ' ' LEU . 97.3 m -111.29 128.61 56.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.452 ' SG ' HD11 ' A' 4581 ' ' ILE . 93.3 m -108.36 163.32 17.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.418 ' HB3' ' HB2' ' A' 4604 ' ' ALA . 87.0 Cg_endo -80.02 67.65 8.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.629 2.219 . . . . 0.0 112.333 -178.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -165.59 168.91 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 79.8 m -50.52 -34.82 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.42 75.7 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.418 ' O ' ' HA ' ' A' 4573 ' ' THR . 66.6 mt -74.35 -70.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.997 -168.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.12 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.452 HD11 ' SG ' ' A' 4574 ' ' CYS . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.478 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4604 ' ' ALA . . . . . 0.418 ' HB2' ' HB3' ' A' 4575 ' ' PRO . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.458 ' H3 ' ' HD2' ' A' 4485 ' ' ARG . 98.8 mtp . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.69 -129.2 24.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 -170.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 32.4 p80 -175.69 143.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -177.58 165.98 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -161.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 60.3 t-80 -168.3 145.2 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 166.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.566 ' HA ' ' HA ' ' A' 4454 ' ' CYS . 75.8 t60 -76.39 157.72 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4398 ' ' HIS . . . . . 0.488 ' HD1' ' HB2' ' A' 4524 ' ' PHE . 2.4 p-80 -140.01 140.07 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 165.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.408 ' O ' HG22 ' A' 4535 ' ' ILE . 17.9 m-70 -54.83 119.91 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 47.1 t -128.02 92.54 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -123.07 106.29 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mtp -84.82 64.79 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -169.93 132.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 60.3 tp -142.38 110.86 6.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 61.67 19.63 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 31.2 t -177.36 144.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 46.5 m0 -85.04 64.88 8.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 34.4 t -172.16 152.11 2.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.0 t0 -143.88 81.0 12.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.77 66.99 8.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -125.0 -77.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.15 160.11 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.68 93.11 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.877 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -124.11 177.25 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.26 -176.95 42.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.85 178.57 6.37 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.453 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.441 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.511 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.511 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4446 ' ' GLN . . . . . 0.443 ' O ' ' HG3' ' A' 4450 ' ' GLU . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4450 ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' 4446 ' ' GLN . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4454 ' ' CYS . . . . . 0.566 ' HA ' ' HA ' ' A' 4397 ' ' HIS . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.438 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.443 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4467 ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4468 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.405 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.527 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.405 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4485 ' ' ARG . . . . . 0.458 ' HD2' ' H3 ' ' A' 4392 ' ' MET . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.44 ' O ' HG22 ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.409 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4489 ' ' ALA . . . . . 0.443 ' HB3' ' HB2' ' A' 4397 ' ' HIS . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4492 ' ' ALA . . . . . 0.466 ' HB1' ' HB3' ' A' 4397 ' ' HIS . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -159.88 119.94 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -64.79 140.68 98.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.854 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.08 64.59 6.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.617 2.211 . . . . 0.0 112.422 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -166.77 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 70.3 p -78.04 -34.69 50.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 49.62 44.84 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 13.1 t -95.25 -171.66 2.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.64 90.24 2.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.434 ' HE1' ' CH2' ' A' 4515 ' ' TRP . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.495 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.434 ' CH2' ' HE1' ' A' 4505 ' ' MET . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4521 ' ' GLY . . . . . 0.481 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4524 ' ' PHE . . . . . 0.488 ' HB2' ' HD1' ' A' 4398 ' ' HIS . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4525 ' ' LEU . . . . . 0.488 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4528 ' ' GLN . . . . . 0.488 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4535 ' ' ILE . . . . . 0.408 HG22 ' O ' ' A' 4399 ' ' HIS . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.486 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.486 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.457 ' O ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.457 ' HG2' ' O ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.437 ' O ' ' HG2' ' A' 4560 ' ' GLN . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' 4557 ' ' ARG . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4562 ' ' LEU . . . . . 0.423 HD12 ' HB3' ' A' 4525 ' ' LEU . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m -112.39 126.8 55.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.454 ' HB2' ' H ' ' A' 4579 ' ' LEU . 70.1 m -112.17 165.26 13.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.836 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.18 -69.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -165.03 94.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 173.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.3 t -179.57 -30.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -132.75 -44.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.454 ' H ' ' HB2' ' A' 4574 ' ' CYS . 83.1 mt 64.94 -105.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 166.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -86.51 89.55 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.436 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4586 ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4596 ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' 4598 ' ' LEU . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4598 ' ' LEU . . . . . 0.443 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4599 ' ' ARG . . . . . 0.453 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4600 ' ' LEU . . . . . 0.441 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.627 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 23.56 -113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 -148.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.627 ' C ' ' O ' ' A' 4393 ' ' GLY . 73.7 m80 13.13 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 161.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -108.16 -101.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 165.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 71.73 141.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 165.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.2 p80 -175.96 15.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 166.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 7.5 p80 -164.08 -141.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -170.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -66.7 -53.2 36.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 68.3 m 59.82 66.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -153.54 134.95 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4402 ' ' MET . . . . . 0.429 ' HB2' HG21 ' A' 4527 ' ' VAL . 36.7 mmt -66.58 158.86 28.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4403 ' ' GLN . . . . . 0.516 ' O ' ' HB1' ' A' 4451 ' ' ALA . 30.8 tt0 -147.34 73.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -173.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.531 ' HB2' ' HB1' ' A' 4451 ' ' ALA . 43.4 tp -132.32 145.22 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.11 15.39 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 90.7 p -163.43 148.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4407 ' ' TRP . . . . . 0.48 ' HB2' ' HB ' ' A' 4531 ' ' THR . 54.5 t90 -118.86 -91.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 172.415 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4408 ' ' SER . . . . . 0.45 ' HB3' ' HD3' ' A' 4410 ' ' PRO . 50.1 m 53.39 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.585 ' N ' ' CD ' ' A' 4410 ' ' PRO . 56.9 p-10 -139.47 44.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' 4409 ' ' ASP . 90.5 Cg_endo -71.08 158.2 55.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.232 . . . . 0.0 112.396 174.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 74.8 p -130.26 15.57 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -128.21 -65.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -119.6 77.8 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4414 ' ' THR . . . . . 0.45 ' HA ' ' HG2' ' A' 4410 ' ' PRO . 55.2 p -76.31 164.86 25.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -161.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -102.54 -61.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.512 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -53.69 149.56 31.89 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.713 2.275 . . . . 0.0 112.411 -171.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.417 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4425 ' ' THR . . . . . 0.428 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4427 ' ' GLU . . . . . 0.428 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.596 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.596 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.478 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4451 ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' 4404 ' ' LEU . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4452 ' ' GLN . . . . . 0.407 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4453 ' ' ALA . . . . . 0.406 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4454 ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4457 ' ' GLY . . . . . 0.424 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.407 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.416 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4462 ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4466 ' ' ARG . . . . . 0.424 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.521 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.415 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.406 HG23 ' HB2' ' A' 4453 ' ' ALA . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -144.73 150.22 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.44 149.06 71.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.852 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.39 45.03 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.39 -44.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 33.4 p -134.38 -7.94 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4502 ' ' LYS . . . . . 0.546 ' N ' ' HD2' ' A' 4502 ' ' LYS . 10.2 mptt 55.65 31.26 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.9 t -54.59 147.51 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.13 155.64 38.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.493 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.447 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4521 ' ' GLY . . . . . 0.447 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4524 ' ' PHE . . . . . 0.43 ' O ' ' HG3' ' A' 4528 ' ' GLN . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4527 ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' 4404 ' ' LEU . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4528 ' ' GLN . . . . . 0.511 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4531 ' ' THR . . . . . 0.48 ' HB ' ' HB2' ' A' 4407 ' ' TRP . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4534 ' ' LEU . . . . . 0.511 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.447 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.463 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.536 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.536 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4543 ' ' VAL . . . . . 0.463 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4544 ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.513 ' O ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.513 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.401 HG23 HG13 ' A' 4554 ' ' VAL . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.401 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4569 ' ' SER . . . . . 0.518 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m -113.36 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 81.0 m -94.78 140.83 22.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -175.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.527 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.8 Cg_exo -56.72 116.67 3.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.527 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.9 tttt 174.97 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 88.5 m -153.9 -74.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -144.33 80.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.9 mp -107.57 80.35 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.468 ' OH ' ' HA ' ' A' 4403 ' ' GLN . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.424 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.448 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4597 ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4598 ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4600 ' ' LEU . . . . . 0.417 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.488 ' H3 ' ' CD2' ' A' 4394 ' ' HIS . 73.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' 4392 ' ' MET . . . -39.8 -37.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.488 ' CD2' ' H3 ' ' A' 4392 ' ' MET . 34.6 p80 -66.37 179.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.806 -172.275 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.43 ' HA ' ' CG2' ' A' 4432 ' ' THR . 31.5 p80 -71.31 163.42 27.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -161.052 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -141.8 81.28 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -122.61 9.97 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -140.58 43.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.567 ' O ' ' HB2' ' A' 4400 ' ' SER . 95.4 m-70 -146.04 44.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4400 ' ' SER . . . . . 0.567 ' HB2' ' O ' ' A' 4399 ' ' HIS . 13.7 t 155.58 124.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.54 40.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 63.7 tpp -170.86 134.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -160.8 114.88 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.597 ' O ' ' CB ' ' A' 4405 ' ' ALA . 51.2 tp -164.41 134.02 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4405 ' ' ALA . . . . . 0.597 ' CB ' ' O ' ' A' 4404 ' ' LEU . . . 152.59 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 43.7 t -154.25 115.2 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 12.9 t90 -89.61 -62.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.1 t 65.37 -165.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.9 t0 -148.02 114.82 3.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.414 ' O ' ' HB ' ' A' 4411 ' ' THR . 41.1 Cg_endo -68.63 117.31 4.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.62 2.214 . . . . 0.0 112.418 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4411 ' ' THR . . . . . 0.723 ' O ' HG23 ' A' 4411 ' ' THR . 8.9 t 179.58 77.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -123.97 81.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 44.8 p -134.04 90.71 2.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.107 -169.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 137.36 174.09 13.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.3 -171.49 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.455 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4432 ' ' THR . . . . . 0.43 ' CG2' ' HA ' ' A' 4395 ' ' HIS . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.46 ' HB2' HG22 ' A' 4440 ' ' VAL . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.469 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4440 ' ' VAL . . . . . 0.469 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.452 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.431 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4462 ' ' SER . . . . . 0.431 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4466 ' ' ARG . . . . . 0.452 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.4 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.544 ' O ' HD23 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4480 ' ' LYS . . . . . 0.442 ' HG3' ' HE1' ' A' 4392 ' ' MET . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.442 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4487 ' ' ASN . . . . . 0.442 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -168.41 157.04 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 59.1 p30 -99.92 156.46 35.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.809 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.69 55.45 5.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.61 -49.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.8 t -142.75 3.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 55.63 32.14 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.0 t -51.42 154.1 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.445 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt -114.34 106.04 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -166.305 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4506 ' ' SER . . . . . 0.439 ' HB2' ' HG3' ' A' 4536 ' ' GLU . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.434 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.434 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.439 ' HG3' ' HB2' ' A' 4506 ' ' SER . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.445 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.42 ' O ' ' HG2' ' A' 4550 ' ' GLN . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.44 HG23 HG13 ' A' 4554 ' ' VAL . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.431 ' O ' ' HG2' ' A' 4560 ' ' GLN . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.431 ' HG2' ' O ' ' A' 4557 ' ' ARG . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.619 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m -102.05 127.69 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.8 t -143.3 129.21 10.19 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.598 0.713 . . . . 0.0 110.91 174.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.414 ' O ' ' HB2' ' A' 4576 ' ' LYS . 55.2 Cg_endo -70.72 117.16 4.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -177.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.705 ' HG3' ' O ' ' A' 4576 ' ' LYS . 58.1 tptt -176.92 35.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.708 HG22 ' O ' ' A' 4577 ' ' THR . 39.7 m 55.06 27.98 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -171.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.566 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.0 mttt -130.04 -46.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' 4578 ' ' LYS . 63.6 mt 74.2 -64.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.2 116.46 23.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.413 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.413 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.539 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.539 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4595 ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' 4411 ' ' THR . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4600 ' ' LEU . . . . . 0.455 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.418 ' HB3' ' CA ' ' A' 4464 ' ' GLY . 94.4 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.412 ' HA3' ' HA ' ' A' 4459 ' ' ILE . . . -111.18 -109.42 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -161.068 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.436 ' O ' ' CD1' ' A' 4467 ' ' PHE . 73.0 t60 -154.45 149.69 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -157.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 33.9 t60 85.25 75.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 165.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.704 ' O ' ' CB ' ' A' 4397 ' ' HIS . 87.3 m-70 75.78 147.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 160.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.704 ' CB ' ' O ' ' A' 4396 ' ' HIS . 61.1 t-80 113.68 80.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 166.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -169.83 143.76 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -149.3 163.92 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 13.2 t -143.25 -167.11 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.02 -171.72 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 92.9 mmm -95.1 -145.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -111.19 86.97 2.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 68.4 tp -155.03 113.36 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 48.76 44.81 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 36.9 t -82.57 108.19 15.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -73.57 113.66 10.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 37.1 t -97.14 129.49 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 49.7 p30 -154.93 168.46 12.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -175.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 45.3 Cg_exo -59.27 157.4 30.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.4 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -84.99 -95.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -158.94 133.22 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.24 55.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.1 p -134.2 179.64 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.26 148.26 8.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.453 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo -68.1 -174.23 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.614 2.21 . . . . 0.0 112.365 171.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.4 HG22 ' HE2' ' A' 4435 ' ' MET . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.414 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.536 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.536 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.433 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4440 ' ' VAL . . . . . 0.414 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4455 ' ' THR . . . . . 0.453 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.412 ' HA ' ' HA3' ' A' 4393 ' ' GLY . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.507 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4464 ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' 4392 ' ' MET . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4465 ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' 4394 ' ' HIS . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4467 ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' 4394 ' ' HIS . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.826 HD23 ' N ' ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.439 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4487 ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.441 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.441 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4497 ' ' GLU . . . . . 0.444 ' CG ' ' H ' ' A' 4498 ' ' ASP . 5.8 pt-20 -48.96 -71.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4498 ' ' ASP . . . . . 0.444 ' H ' ' CG ' ' A' 4497 ' ' GLU . 52.4 t0 -179.45 102.49 0.19 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.57 0.7 . . . . 0.0 110.836 -170.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.494 ' O ' ' HB3' ' A' 4500 ' ' ARG . 56.2 Cg_endo -74.64 74.85 3.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.494 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.5 ptt180 174.95 -34.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4501 ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' 4502 ' ' LYS . 14.7 t -137.49 -29.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -175.26 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4502 ' ' LYS . . . . . 0.421 ' HB2' ' O ' ' A' 4501 ' ' THR . 75.4 mmtt 70.83 141.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 177.047 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' 4504 ' ' LYS . 17.1 p -119.33 -38.83 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -171.159 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' 4503 ' ' THR . 98.8 mttt 64.96 124.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -168.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.511 ' CD1' ' C ' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 95.8 mm-40 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4528 ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4534 ' ' LEU . . . . . 0.418 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.461 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.461 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.453 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.453 ' HG2' ' O ' ' A' 4547 ' ' GLU . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.411 ' O ' ' HG2' ' A' 4560 ' ' GLN . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.411 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m -105.65 127.3 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.4 t -117.98 142.55 31.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.94 -3.42 13.89 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 83.2 tttt -46.54 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 14.8 t -174.97 -24.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 4580 ' ' LYS . 99.5 mttt -92.51 -14.35 28.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -175.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.6 mp 53.85 -75.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -172.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4580 ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.3 tttt -73.21 110.74 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.438 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4598 ' ' LEU . . . . . 0.507 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' 4395 ' ' HIS . . . 118.42 -113.5 2.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -171.21 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -50.4 84.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -158.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' 4393 ' ' GLY . 98.1 m-70 -134.96 -176.39 4.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 174.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' 4397 ' ' HIS . 97.0 m-70 54.45 -114.46 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -165.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.411 ' HB2' ' O ' ' A' 4396 ' ' HIS . 99.4 m-70 65.43 104.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.11 142.32 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -167.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -105.08 137.64 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -172.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.5 p -158.33 160.7 37.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -169.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -164.74 169.9 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -166.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 67.3 ttp -141.45 128.39 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -162.42 -169.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' 4404 ' ' LEU . 2.0 pt? -125.14 165.16 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -169.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.04 150.41 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 85.5 p -62.86 172.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4407 ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' 4408 ' ' SER . 45.7 t90 -148.88 -62.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 -169.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4408 ' ' SER . . . . . 0.405 ' O ' ' CE3' ' A' 4407 ' ' TRP . 22.8 t 63.02 -124.1 0.61 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.9 t0 -133.37 81.12 56.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.825 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.35 -171.29 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 64.9 p -101.86 167.45 10.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 169.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.28 94.84 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -166.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4413 ' ' GLU . . . . . 0.515 ' HB2' ' HA ' ' A' 4588 ' ' ASP . 95.6 mt-10 -94.73 151.83 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 154.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 65.6 p -130.5 157.83 41.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 160.83 157.18 8.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.37 117.4 4.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.281 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.42 HD22 ' O ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4428 ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4432 ' ' THR . . . . . 0.4 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.472 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.614 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.5 t60 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.614 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.472 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.408 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4449 ' ' LEU . . . . . 0.445 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4467 ' ' PHE . . . . . 0.416 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4468 ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.436 HG21 HG22 ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.447 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A 4478 ' ' VAL . . . . . 0.445 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.446 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4487 ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.409 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -161.87 160.04 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.29 138.9 25.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.13 99.69 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.77 2.314 . . . . 0.0 112.314 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -165.89 -54.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -177.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 14.9 t -139.16 8.39 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.237 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 45.14 78.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 11.6 t -76.31 168.36 20.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -174.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -119.08 97.06 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.508 ' N ' HD23 ' A' 4511 ' ' LEU . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.558 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4517 ' ' TYR . . . . . 0.558 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.485 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.485 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.442 HG22 ' HB3' ' A' 4536 ' ' GLU . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.419 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.482 ' O ' ' HG2' ' A' 4550 ' ' GLN . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4548 ' ' ALA . . . . . 0.4 ' HB1' HG22 ' A' 4554 ' ' VAL . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.507 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.507 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.427 ' O ' ' HG2' ' A' 4560 ' ' GLN . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m -97.43 131.63 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 51.6 t -116.02 132.2 23.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 110.877 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -80.98 66.69 8.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' 4576 ' ' LYS . 88.7 tttt -155.1 54.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.667 HG22 ' O ' ' A' 4577 ' ' THR . 45.7 m 63.43 11.83 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.097 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 65.3 pttt -143.22 173.95 11.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 7.4 mp -121.72 -52.69 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -176.038 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -74.66 106.73 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -167.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.473 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.427 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.473 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4588 ' ' ASP . . . . . 0.515 ' HA ' ' HB2' ' A' 4413 ' ' GLU . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4592 ' ' VAL . . . . . 0.452 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.481 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.481 ' HB2' ' O ' ' A' 4593 ' ' GLU . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.494 ' SD ' ' HA2' ' A' 4597 ' ' GLY . 97.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 110.18 -86.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -159.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 64.7 t60 -48.29 108.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 170.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -142.38 75.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.795 175.084 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' 4397 ' ' HIS . 11.2 p80 -163.74 -136.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' 4396 ' ' HIS . 52.9 t-80 -37.51 133.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -104.92 -170.98 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -161.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4400 ' ' SER . 88.5 m-70 -105.0 -158.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -171.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4400 ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' 4399 ' ' HIS . 47.5 t -38.67 125.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -173.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.15 -161.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 99.4 mmm -92.1 -124.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.929 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -103.6 100.74 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -169.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 96.2 mt -127.98 176.11 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.5 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 98.1 p -137.55 168.84 18.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4407 ' ' TRP . . . . . 0.734 ' O ' ' CE3' ' A' 4407 ' ' TRP . 86.3 t90 -158.68 55.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.8 t -164.23 121.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 56.0 t0 -155.27 70.19 5.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.2 72.1 4.89 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 86.3 m -133.25 118.08 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -172.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -122.12 110.22 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.804 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -120.28 146.73 45.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 64.1 p -124.9 149.28 47.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -152.83 -134.52 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -166.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -77.07 170.07 20.39 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.57 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.57 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.437 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4467 ' ' PHE . . . . . 0.445 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4468 ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.483 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.447 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4480 ' ' LYS . . . . . 0.483 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.437 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.419 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.419 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -127.84 158.26 38.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.92 129.52 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.854 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.454 ' O ' ' HB3' ' A' 4500 ' ' ARG . 83.2 Cg_endo -78.2 68.62 7.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' A' 4499 ' ' PRO . 39.7 ptt180 175.19 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 9.4 t -124.49 -23.48 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 59.81 59.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 172.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.9 t -51.95 160.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.99 91.57 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4508 ' ' ALA . . . . . 0.423 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.44 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4525 ' ' LEU . . . . . 0.423 HD11 ' HA ' ' A' 4508 ' ' ALA . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4530 ' ' LEU . . . . . 0.42 ' HB3' ' HB3' ' A' 4583 ' ' TYR . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.55 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.55 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.527 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.527 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.425 HG23 HG13 ' A' 4554 ' ' VAL . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.435 ' O ' ' HG2' ' A' 4560 ' ' GLN . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.412 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.435 ' HG2' ' O ' ' A' 4557 ' ' ARG . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.719 ' CG ' ' O ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m -103.63 130.3 51.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 73.5 m -79.4 165.12 50.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.734 . . . . 0.0 110.876 177.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.08 65.7 8.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.298 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.433 ' HB3' ' CD2' ' A' 4579 ' ' LEU . 88.2 tttt -141.72 -72.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.433 HG22 ' HG3' ' A' 4578 ' ' LYS . 87.2 m -149.12 -79.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.433 ' HG3' HG22 ' A' 4577 ' ' THR . 98.4 mttt -140.96 81.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.433 ' CD2' ' HB3' ' A' 4576 ' ' LYS . 2.7 mm? -115.62 53.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -174.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.52 109.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.451 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4597 ' ' GLY . . . . . 0.494 ' HA2' ' SD ' ' A' 4392 ' ' MET . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.466 ' HG3' HD13 ' A' 4488 ' ' LEU . 37.8 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 154.2 -60.31 0.39 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 161.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.674 ' C ' ' O ' ' A' 4393 ' ' GLY . 86.3 t60 6.52 92.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 172.55 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 82.0 t60 -163.57 116.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.769 ' O ' ' CB ' ' A' 4397 ' ' HIS . 23.1 p80 -159.82 76.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.769 ' CB ' ' O ' ' A' 4396 ' ' HIS . 86.4 t60 124.96 155.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 33.3 p80 -162.98 166.5 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.3 138.63 52.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 44.7 t -155.99 108.76 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.68 89.29 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 27.8 ptm -152.61 166.78 31.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -171.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -144.95 178.71 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 33.8 tp -85.07 82.2 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -144.62 55.04 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.0 p -152.67 165.91 33.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4407 ' ' TRP . . . . . 0.511 ' O ' ' CE3' ' A' 4407 ' ' TRP . 69.6 p-90 -169.28 26.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 41.7 t -152.4 123.5 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.6 t0 -153.35 87.5 3.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.8 166.0 31.19 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.416 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 97.7 m -89.32 -52.86 4.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 48.48 69.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.84 123.02 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 70.6 p -132.04 -171.63 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.108 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -109.4 159.36 14.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -61.11 138.84 80.67 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.54 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.54 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4454 ' ' CYS . . . . . 0.417 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.452 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.471 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.853 ' O ' HD21 ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.466 HD13 ' HG3' ' A' 4392 ' ' MET . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -54.45 159.06 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.46 148.71 98.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.9 -177.5 3.48 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 74.98 -58.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -27.72 13.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 46.24 78.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.1 t -83.96 -172.2 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.13 155.22 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.407 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.437 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.407 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4517 ' ' TYR . . . . . 0.413 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4519 ' ' GLU . . . . . 0.413 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4521 ' ' GLY . . . . . 0.437 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4524 ' ' PHE . . . . . 0.417 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4528 ' ' GLN . . . . . 0.757 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.412 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.412 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.459 ' O ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.459 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.437 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.445 ' O ' ' HG2' ' A' 4560 ' ' GLN . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.593 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4572 ' ' LEU . . . . . 0.457 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m -96.36 127.31 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.7 t -130.46 89.41 44.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 176.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.83 98.22 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -169.94 -44.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 84.8 m -150.09 -74.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -98.13 92.25 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.5 mp -64.98 -38.07 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -173.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.53 96.66 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.514 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.426 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.514 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4592 ' ' VAL . . . . . 0.479 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4594 ' ' GLU . . . . . 0.479 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A 4604 ' ' ALA . . . . . 0.423 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4605 ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' 4606 ' ' GLN . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A 4606 ' ' GLN . . . . . 0.617 ' OXT' ' HG3' ' A' 4606 ' ' GLN . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.51 ' SD ' ' HB2' ' A' 4399 ' ' HIS . 99.8 mmm . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -144.87 74.69 0.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 143.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -163.32 -162.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -168.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -81.24 -164.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -72.65 130.09 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -145.0 170.03 16.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -68.1 -18.24 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4399 ' ' HIS . . . . . 0.51 ' HB2' ' SD ' ' A' 4392 ' ' MET . 93.5 m-70 -60.93 174.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4400 ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' 4401 ' ' HIS . 38.6 t -72.45 -137.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -161.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4401 ' ' HIS . . . . . 0.405 ' N ' ' OG ' ' A' 4400 ' ' SER . 86.3 t60 -49.72 113.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -158.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 12.5 tpt -97.29 147.26 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -145.73 100.74 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 56.1 tp -163.17 147.17 10.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -117.69 60.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 73.7 m -128.05 126.79 41.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -134.02 77.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 75.5 m -131.28 68.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 2.8 p30 -158.34 149.16 16.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.7 176.63 9.65 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4411 ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' 4412 ' ' GLU . 44.3 p -116.36 -104.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 175.344 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4412 ' ' GLU . . . . . 0.465 ' O ' ' HB2' ' A' 4413 ' ' GLU . 11.3 pt-20 175.07 -24.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.804 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4413 ' ' GLU . . . . . 0.465 ' HB2' ' O ' ' A' 4412 ' ' GLU . 96.7 mt-10 65.15 -175.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4414 ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' 4413 ' ' GLU . 22.3 p 57.58 -157.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -175.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4415 ' ' GLY . . . . . 0.481 ' HA2' ' HD3' ' A' 4416 ' ' PRO . . . 114.93 133.51 5.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.481 ' HD3' ' HA2' ' A' 4415 ' ' GLY . 34.1 Cg_exo -60.28 -179.99 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.506 ' O ' HD12 ' A' 4439 ' ' LEU . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4469 ' ' VAL . . . . . 0.451 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.451 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 70.91 152.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -134.27 151.64 76.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.625 0.726 . . . . 0.0 110.946 177.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.401 ' O ' ' HB3' ' A' 4500 ' ' ARG . 61.3 Cg_endo -72.81 89.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.401 ' HB3' ' O ' ' A' 4499 ' ' PRO . 17.5 ptm180 175.06 -34.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -169.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 2.4 t -129.9 -39.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 51.6 58.23 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.479 ' O ' ' HB2' ' A' 4504 ' ' LYS . 7.3 t -100.06 -21.94 15.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' 4503 ' ' THR . 97.7 mttt 67.3 137.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' 4516 ' ' LEU . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.4 ' HB3' ' HB1' ' A' 4510 ' ' ALA . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.437 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.437 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.422 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.422 ' HG2' ' O ' ' A' 4547 ' ' GLU . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.436 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.436 HG13 HG23 ' A' 4553 ' ' THR . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m -92.74 120.84 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.9 t -153.33 92.35 3.23 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 172.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.87 70.26 5.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.89 0.53 5.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.882 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.421 HG23 ' HG2' ' A' 4578 ' ' LYS . 3.3 t -171.96 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' 4580 ' ' LYS . 62.6 pttt -151.46 14.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.85 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4580 ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.8 tttt -72.59 114.14 10.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -172.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.424 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.486 ' HA ' HD22 ' A' 4404 ' ' LEU . 97.7 mtp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' 4394 ' ' HIS . . . 102.79 81.59 1.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' 4393 ' ' GLY . 84.0 t60 -178.83 101.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.848 0.356 . . . . 0.0 110.808 162.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.85 135.31 46.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -165.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4396 ' ' HIS . . . . . 0.65 ' HA ' ' NE2' ' A' 4490 ' ' GLN . 49.9 p-80 -89.8 179.05 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 162.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4397 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4398 ' ' HIS . 76.6 t60 -57.76 -68.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.882 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4398 ' ' HIS . . . . . 0.463 ' CD2' ' HD1' ' A' 4401 ' ' HIS . 49.6 p-80 24.6 -141.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -160.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -100.46 -80.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 42.4 t -168.39 134.57 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4401 ' ' HIS . . . . . 0.463 ' HD1' ' CD2' ' A' 4398 ' ' HIS . 75.8 m80 -123.92 173.87 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 168.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 60.5 ttm -133.26 107.04 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 168.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -178.2 150.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -172.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.486 HD22 ' HA ' ' A' 4392 ' ' MET . 52.5 mt -125.85 105.84 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -154.66 67.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.7 p -121.83 166.28 14.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 176.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -122.43 83.37 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 95.3 p -100.58 163.67 12.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.505 ' HB3' ' HD3' ' A' 4410 ' ' PRO . 56.6 t0 178.45 -46.39 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.828 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 39.0 Cg_endo -83.68 177.19 6.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 78.5 m -110.53 -61.68 1.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 56.44 -124.52 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 62.91 52.65 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 76.8 p -128.17 73.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -89.97 170.32 36.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -171.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -65.34 114.68 2.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4421 ' ' LEU . . . . . 0.415 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.454 HG22 ' HE2' ' A' 4435 ' ' MET . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.481 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.454 ' HE2' HG22 ' A' 4431 ' ' ILE . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.527 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.527 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.481 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.426 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4453 ' ' ALA . . . . . 0.453 ' HB2' ' HB1' ' A' 4489 ' ' ALA . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4460 ' ' ASP . . . . . 0.459 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4475 ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4489 ' ' ALA . . . . . 0.453 ' HB1' ' HB2' ' A' 4453 ' ' ALA . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4490 ' ' GLN . . . . . 0.65 ' NE2' ' HA ' ' A' 4396 ' ' HIS . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -98.72 158.23 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -98.22 150.09 36.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.78 -7.8 19.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.338 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -99.89 -21.83 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.8 t -149.5 130.11 14.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -119.46 87.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 18.5 p -79.27 -13.35 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -171.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt 61.62 62.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.425 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.425 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.426 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.507 ' O ' ' HG2' ' A' 4550 ' ' GLN . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.507 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.46 ' O ' ' HG2' ' A' 4560 ' ' GLN . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.426 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' A' 4557 ' ' ARG . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4572 ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' 4581 ' ' ILE . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m -100.82 134.96 43.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.579 ' HB3' ' CD ' ' A' 4575 ' ' PRO . 9.0 t -161.35 -51.27 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.715 0.769 . . . . 0.0 110.877 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.579 ' CD ' ' HB3' ' A' 4574 ' ' CYS . 97.3 Cg_endo -70.85 139.41 36.4 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.624 2.216 . . . . 0.0 112.367 174.395 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -94.67 65.87 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.0 t -175.19 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.83 -14.77 8.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 176.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4579 ' ' LEU . . . . . 0.43 HD11 ' N ' ' A' 4579 ' ' LEU . 7.7 mp 57.27 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4580 ' ' LYS . . . . . 0.418 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt -80.96 122.34 27.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -171.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.423 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4602 ' ' GLU . . . . . 0.415 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.443 ' HE1' HG11 ' A' 4543 ' ' VAL . 60.6 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 83.49 40.74 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.562 164.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 80.2 m80 -71.79 71.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.813 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.42 71.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -121.85 131.21 53.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -56.07 127.99 33.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.75 145.82 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -105.05 -158.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.6 p -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -174.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -160.27 114.79 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 171.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 56.7 ttm -165.03 105.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -164.29 135.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 66.2 tp -144.47 111.37 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.81 75.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.8 p -140.05 165.71 26.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -134.68 109.86 8.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 93.8 p -148.27 161.35 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.482 ' N ' ' HD2' ' A' 4410 ' ' PRO . 95.7 m-20 -71.65 -47.91 12.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' 4409 ' ' ASP . 95.9 Cg_endo -80.21 64.29 8.85 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 82.3 p -131.72 -9.15 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 170.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -164.17 151.16 11.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.87 -95.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 51.5 p 39.62 -147.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.86 124.16 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 169.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.87 -175.32 2.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.323 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4431 ' ' ILE . . . . . 0.404 HG22 ' HE2' ' A' 4435 ' ' MET . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4435 ' ' MET . . . . . 0.404 ' HE2' HG22 ' A' 4431 ' ' ILE . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.514 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.514 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.441 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' HB3' ' A' 4438 ' ' ASN . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.426 ' O ' HG22 ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.406 ' HG ' HD11 ' A' 4516 ' ' LEU . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.409 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4495 ' ' GLY . . . . . 0.409 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 39.3 -154.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 57.5 t0 -156.99 117.61 2.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 172.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.447 ' O ' ' HB3' ' A' 4500 ' ' ARG . 61.0 Cg_endo -75.36 69.97 5.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4500 ' ' ARG . . . . . 0.447 ' HB3' ' O ' ' A' 4499 ' ' PRO . 17.7 ptm180 175.03 -34.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 15.0 t -135.06 -24.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 60.77 94.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 29.1 p -70.69 -28.75 65.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp 57.7 57.99 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -172.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4516 ' ' LEU . . . . . 0.406 HD11 ' HG ' ' A' 4488 ' ' LEU . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4543 ' ' VAL . . . . . 0.443 HG11 ' HE1' ' A' 4392 ' ' MET . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4544 ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.503 ' O ' ' HG2' ' A' 4550 ' ' GLN . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' A' 4560 ' ' GLN . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.469 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.415 ' O ' ' HB2' ' A' 4571 ' ' TYR . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4571 ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' 4570 ' ' LYS . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m -90.85 123.69 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 83.7 m -80.19 124.64 82.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.468 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.3 Cg_exo -55.01 108.5 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' 4575 ' ' PRO . 85.0 tttt 176.46 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 62.7 p -134.99 55.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.6 mttt 57.24 53.85 7.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.11 96.03 7.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.451 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A 4606 ' ' GLN . . . . . 0.467 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 107.46 121.5 4.69 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -168.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 25.3 p80 -163.5 -174.05 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 -169.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.38 157.87 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -112.46 -156.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -164.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.75 153.23 21.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -159.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -131.04 -165.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -75.09 157.33 34.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 -168.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 27.5 t -131.21 -138.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -167.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.53 166.15 23.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -172.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 26.5 ptt? -139.41 161.98 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -164.91 154.17 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -167.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4404 ' ' LEU . . . . . 0.556 ' C ' HD23 ' A' 4404 ' ' LEU . 8.6 tt -129.1 129.82 45.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -97.68 -59.96 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.3 p -165.33 168.02 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 45.5 p90 -85.67 -6.01 59.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.5 t 64.91 -164.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.491 ' HB2' ' HD2' ' A' 4410 ' ' PRO . 56.3 p30 -127.04 172.22 6.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' A' 4409 ' ' ASP . 77.1 Cg_exo -55.88 130.47 40.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 11.8 t -168.23 145.55 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4412 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 4413 ' ' GLU . 40.9 tt0 -78.16 -69.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -176.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4413 ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' 4412 ' ' GLU . 69.2 mm-40 39.59 69.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 172.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 79.6 p -67.26 151.74 46.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -130.15 -172.54 13.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.44 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo -75.14 99.02 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.409 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4428 ' ' LYS . . . . . 0.468 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.41 ' HB3' HG22 ' A' 4440 ' ' VAL . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.406 ' O ' ' HB3' ' A' 4438 ' ' ASN . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' 4437 ' ' ARG . 0.5 OUTLIER 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4439 ' ' LEU . . . . . 0.422 HD22 ' HB2' ' A' 4422 ' ' ASP . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4440 ' ' VAL . . . . . 0.41 HG22 ' HB3' ' A' 4434 ' ' ALA . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4448 ' ' LEU . . . . . 0.409 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4455 ' ' THR . . . . . 0.44 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4459 ' ' ILE . . . . . 0.431 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4461 ' ' PRO . . . . . 0.43 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4462 ' ' SER . . . . . 0.43 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4466 ' ' ARG . . . . . 0.431 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4472 ' ' ALA . . . . . 0.441 ' HB3' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4473 ' ' VAL . . . . . 0.45 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4477 ' ' LEU . . . . . 0.441 ' HB3' ' HB3' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4483 ' ' VAL . . . . . 0.45 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4487 ' ' ASN . . . . . 0.405 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4488 ' ' LEU . . . . . 0.475 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4491 ' ' LYS . . . . . 0.475 ' HE3' HD12 ' A' 4488 ' ' LEU . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.563 ' O ' ' CD1' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.94 119.69 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4498 ' ' ASP . . . . . 0.489 ' HB2' ' HD2' ' A' 4499 ' ' PRO . 58.2 p30 -94.77 163.94 20.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 176.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4499 ' ' PRO . . . . . 0.489 ' HD2' ' HB2' ' A' 4498 ' ' ASP . 90.2 Cg_endo -76.43 59.32 6.08 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.767 2.311 . . . . 0.0 112.315 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.57 -41.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 23.4 p -124.04 -27.11 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt 52.54 58.44 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.5 t -155.96 164.53 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 173.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -99.93 65.0 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4505 ' ' MET . . . . . 0.472 ' HE1' ' CE3' ' A' 4515 ' ' TRP . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.434 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4515 ' ' TRP . . . . . 0.481 ' CD1' ' C ' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4522 ' ' GLN . . . . . 0.416 ' O ' ' HG3' ' A' 4526 ' ' GLU . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4526 ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' 4522 ' ' GLN . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.47 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4537 ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4539 ' ' THR . . . . . 0.569 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4540 ' ' PRO . . . . . 0.569 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.534 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.534 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4553 ' ' THR . . . . . 0.464 HG21 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4554 ' ' VAL . . . . . 0.464 HG13 HG21 ' A' 4553 ' ' THR . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.45 ' O ' ' HG2' ' A' 4560 ' ' GLN . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.45 ' HG2' ' O ' ' A' 4557 ' ' ARG . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4565 ' ' VAL . . . . . 0.43 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4568 ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.43 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m -104.05 127.59 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' 4581 ' ' ILE . 74.4 m -122.24 88.67 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.81 90.35 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.273 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 56.1 tptt -174.92 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 85.5 m -149.39 -74.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.84 72.34 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -62.5 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4580 ' ' LYS . . . . . 0.43 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt -79.06 86.17 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -170.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4583 ' ' TYR . . . . . 0.47 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.518 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4587 ' ' LEU . . . . . 0.47 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A 4392 ' ' MET . . . . . 0.592 ' SD ' ' HB3' ' A' 4572 ' ' LEU . 4.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4393 ' ' GLY . . . . . 0.508 ' HA3' ' H ' ' A' 4577 ' ' THR . . . -169.27 -154.95 9.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.461 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4394 ' ' HIS . . . . . 0.479 ' H ' ' HA ' ' A' 4576 ' ' LYS . 83.3 t60 -168.42 140.09 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.8 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4395 ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' 4395 ' ' HIS . 31.9 t-80 -160.26 57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 173.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.02 -173.97 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -148.31 134.25 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -143.58 177.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -132.92 69.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 23.3 t -145.07 81.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -127.58 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.961 -170.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 87.2 mmm 66.6 29.0 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -159.99 114.99 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.962 170.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 48.7 tp -166.92 135.03 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 178.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 176.82 -10.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.5 p -169.99 162.84 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.0 m95 -135.02 73.77 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.978 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4408 ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' 4409 ' ' ASP . 28.0 t -81.63 79.74 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -169.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4409 ' ' ASP . . . . . 0.58 ' HB3' ' HD3' ' A' 4410 ' ' PRO . 1.5 t0 165.04 -58.15 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4410 ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 48.8 Cg_endo -77.47 170.25 19.67 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 26.4 m 74.98 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -125.85 -35.28 2.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 133.44 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 71.8 p -97.26 159.83 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -118.54 167.01 12.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -163.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4416 ' ' PRO . . . . . 0.569 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo -80.14 -166.99 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4417 ' ' VAL . . . . . 0.569 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4426 ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4434 ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' 4438 ' ' ASN . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4436 ' ' HIS . . . . . 0.469 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4437 ' ' ARG . . . . . 0.469 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4438 ' ' ASN . . . . . 0.484 ' HB2' ' HA ' ' A' 4434 ' ' ALA . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4451 ' ' ALA . . . . . 0.447 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4458 ' ' ILE . . . . . 0.429 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4486 ' ' ILE . . . . . 0.429 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4492 ' ' ALA . . . . . 0.435 ' HB1' ' CZ ' ' A' 4496 ' ' PHE . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4496 ' ' PHE . . . . . 0.435 ' CZ ' ' HB1' ' A' 4492 ' ' ALA . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 45.35 70.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -55.47 150.48 24.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.39 -14.14 42.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.426 -176.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -106.67 11.74 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4501 ' ' THR . . . . . 0.709 HG23 ' O ' ' A' 4501 ' ' THR . 10.1 t 179.92 84.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.207 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -84.56 98.49 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4503 ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' 4504 ' ' LYS . 43.0 p -119.99 -42.85 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -174.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4504 ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' 4503 ' ' THR . 33.9 ttpt 84.97 114.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4510 ' ' ALA . . . . . 0.472 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4511 ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4513 ' ' LYS . . . . . 0.595 ' O ' ' HG2' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4514 ' ' GLY . . . . . 0.472 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4527 ' ' VAL . . . . . 0.447 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4536 ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' 4538 ' ' ASP . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4538 ' ' ASP . . . . . 0.41 ' HB3' ' OE2' ' A' 4536 ' ' GLU . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4545 ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4547 ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' 4550 ' ' GLN . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4550 ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' 4547 ' ' GLU . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4557 ' ' ARG . . . . . 0.44 ' O ' ' HG2' ' A' 4560 ' ' GLN . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4559 ' ' ALA . . . . . 0.412 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4560 ' ' GLN . . . . . 0.44 ' HG2' ' O ' ' A' 4557 ' ' ARG . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4562 ' ' LEU . . . . . . . . . . . . . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4570 ' ' LYS . . . . . 0.555 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4572 ' ' LEU . . . . . 0.592 ' HB3' ' SD ' ' A' 4392 ' ' MET . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p -122.12 147.91 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4574 ' ' CYS . . . . . 0.524 ' HB3' ' HD2' ' A' 4575 ' ' PRO . 1.2 m -129.96 -174.07 0.36 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.866 177.736 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4575 ' ' PRO . . . . . 0.547 ' O ' ' HB2' ' A' 4576 ' ' LYS . 70.4 Cg_exo -49.85 -48.42 19.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4576 ' ' LYS . . . . . 0.547 ' HB2' ' O ' ' A' 4575 ' ' PRO . 84.3 tttt 165.11 110.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4577 ' ' THR . . . . . 0.508 ' H ' ' HA3' ' A' 4393 ' ' GLY . 86.5 m -155.01 -74.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 168.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4578 ' ' LYS . . . . . 0.493 ' HG3' HG22 ' A' 4577 ' ' THR . 94.5 mttt -119.29 -7.35 10.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.21 -108.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.63 110.63 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -174.31 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4581 ' ' ILE . . . . . 0.768 HD12 ' O ' ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4585 ' ' ASP . . . . . 0.472 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4586 ' ' ALA . . . . . 0.437 ' HB3' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4601 ' ' LEU . . . . . 0.462 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.793 0.247 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4420 ' ' ILE . . . . . 0.441 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4428 ' ' LYS . . . . . 0.628 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4431 ' ' ILE . . . . . 0.441 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' 4437 ' ' ARG . 28.7 t-20 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.584 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4454 ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' 4524 ' ' PHE . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' 4462 ' ' SER . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4462 ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4479 ' ' ASP . . . . . 0.437 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4481 ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' 4479 ' ' ASP . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 4487 ' ' ASN . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 4483 ' ' VAL . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.538 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.538 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4520 ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' 4524 ' ' PHE . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4524 ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' 4520 ' ' ALA . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' 4535 ' ' ILE . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' 4562 ' ' LEU . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4525 ' ' LEU . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4535 ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' 4528 ' ' GLN . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4542 ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.465 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4585 ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4590 ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.436 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.771 0.238 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' 4601 ' ' LEU . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' 4421 ' ' LEU . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.51 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4446 ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' 4485 ' ' ARG . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4464 ' ' GLY . . . . . 0.526 ' H ' HD21 ' A' 4598 ' ' LEU . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4465 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4485 ' ' ARG . . . . . 0.412 ' HD2' ' HG3' ' A' 4446 ' ' GLN . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' 4483 ' ' VAL . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.443 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4490 ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4493 ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' 4490 ' ' GLN . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.443 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' 4525 ' ' LEU . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 4521 ' ' GLY . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.415 HD23 HG23 ' A' 4554 ' ' VAL . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.7 HG23 HG13 ' A' 4554 ' ' VAL . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.7 HG13 HG23 ' A' 4553 ' ' THR . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.729 0.3 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' 4464 ' ' GLY . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.407 ' H ' ' HB3' ' A' 4598 ' ' LEU . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.422 ' HB2' HG11 ' A' 4417 ' ' VAL . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A 4606 ' ' GLN . . . . . 0.55 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.466 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4418 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 4598 ' ' LEU . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.859 ' HB3' HD11 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' 4439 ' ' LEU . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4448 ' ' LEU . . . . . 0.466 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4465 ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4489 ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' 4492 ' ' ALA . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.467 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4492 ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' 4489 ' ' ALA . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4493 ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' 4494 ' ' CYS . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4494 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 4493 ' ' PHE . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' 4562 ' ' LEU . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.417 ' HB2' HD12 ' A' 4562 ' ' LEU . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' 4538 ' ' ASP . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.409 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.471 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.471 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' 4573 ' ' THR . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4573 ' ' THR . . . . . 0.477 ' N ' HD13 ' A' 4572 ' ' LEU . 89.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 4418 ' ' ALA . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4600 ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' 4421 ' ' LEU . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' 4600 ' ' LEU . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' 4437 ' ' ARG . 26.8 t-20 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.428 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4457 ' ' GLY . . . . . 0.44 ' H ' HH11 ' A' 4466 ' ' ARG . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4465 ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4466 ' ' ARG . . . . . 0.44 HH11 ' H ' ' A' 4457 ' ' GLY . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' 4488 ' ' LEU . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4497 ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' 4495 ' ' GLY . 25.9 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4506 ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' 4509 ' ' GLN . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.426 ' HB2' ' H ' ' A' 4506 ' ' SER . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' 4538 ' ' ASP . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' 4559 ' ' ALA . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4593 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.48 ' H ' HG12 ' A' 4592 ' ' VAL . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.834 0.264 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' 4601 ' ' LEU . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' 4438 ' ' ASN . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' 4487 ' ' ASN . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.494 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4505 ' ' MET . . . . . 0.431 ' H ' ' HG3' ' A' 4505 ' ' MET . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.467 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.467 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4517 ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4520 ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4548 ' ' ALA . . . . . 0.539 ' HB1' ' OG1' ' A' 4553 ' ' THR . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' 4559 ' ' ALA . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.539 ' OG1' ' HB1' ' A' 4548 ' ' ALA . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.424 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.456 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 4416 ' ' PRO . . . . . 0.421 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.122 0 CA-C-O 120.782 0.242 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4423 ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4455 ' ' THR . . . . . 0.421 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4466 ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' 4483 ' ' VAL . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4490 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4487 ' ' ASN . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4492 ' ' ALA . . . . . 0.613 ' O ' ' HB2' ' A' 4507 ' ' ALA . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.754 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 4505 ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' 4505 ' ' MET . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' 4492 ' ' ALA . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.4 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' 4496 ' ' PHE . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.499 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.68 0.276 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.466 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 120.769 0.237 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4423 ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' 4604 ' ' ALA . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.577 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4453 ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4465 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' 4480 ' ' LYS . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4479 ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' 4481 ' ' ILE . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4480 ' ' LYS . . . . . 0.417 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4481 ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' 4479 ' ' ASP . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4482 ' ' MET . . . . . 0.431 ' HA ' ' HE ' ' A' 4485 ' ' ARG . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.417 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4485 ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' 4482 ' ' MET . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.49 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4505 ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' 4505 ' ' MET . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' 4553 ' ' THR . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4534 ' ' LEU . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4525 ' ' LEU . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.432 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.432 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4561 ' ' LYS . . . . . 0.712 ' O ' HG13 ' A' 4565 ' ' VAL . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' 4562 ' ' LEU . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4565 ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' 4561 ' ' LYS . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4569 ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4582 ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.535 ' HB2' ' HB ' ' A' 4423 ' ' THR . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.42 HD21 HD23 ' A' 4426 ' ' LEU . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4429 ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' 4434 ' ' ALA . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' 4429 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 8.7 p30 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4482 ' ' MET . . . . . 0.469 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' 4495 ' ' GLY . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.494 HD21 ' HA3' ' A' 4521 ' ' GLY . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.591 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.494 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' 4562 ' ' LEU . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4548 ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' 4553 ' ' THR . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' 4559 ' ' ALA . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.463 HG23 ' HB1' ' A' 4548 ' ' ALA . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.474 HG12 ' HB1' ' A' 4508 ' ' ALA . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.834 0.264 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4467 ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4468 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.428 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4524 ' ' PHE . . . . . 0.482 ' CE2' ' HA2' ' A' 4521 ' ' GLY . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.516 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4526 ' ' GLU . . . . . 0.431 ' HG2' HG11 ' A' 4565 ' ' VAL . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.489 ' HB2' HD12 ' A' 4562 ' ' LEU . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4547 ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4565 ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' 4526 ' ' GLU . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' 4586 ' ' ALA . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4586 ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' 4572 ' ' LEU . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.484 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A 4606 ' ' GLN . . . . . 0.436 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.75 0.229 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4425 ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4427 ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 4439 ' ' LEU . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' 4438 ' ' ASN . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4448 ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' 4451 ' ' ALA . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4451 ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' 4448 ' ' LEU . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4452 ' ' GLN . . . . . 0.429 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4454 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4457 ' ' GLY . . . . . 0.449 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.429 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4462 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4466 ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' 4493 ' ' PHE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' 4553 ' ' THR . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.458 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.458 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.622 ' HB3' HD11 ' A' 4562 ' ' LEU . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' 4562 ' ' LEU . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.527 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.453 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4543 ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4544 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4547 ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4549 ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.402 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4569 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4582 ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' 4569 ' ' SER . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' 4587 ' ' LEU . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4597 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.809 0.254 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' 4599 ' ' ARG . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4435 ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4440 ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4462 ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4466 ' ' ARG . . . . . 0.455 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4479 ' ' ASP . . . . . 0.434 ' HB3' HG12 ' A' 4481 ' ' ILE . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4481 ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' 4479 ' ' ASP . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' 4489 ' ' ALA . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4489 ' ' ALA . . . . . 0.617 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4492 ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 4504 ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.763 0.316 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.411 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.459 ' HG3' ' OG1' ' A' 4553 ' ' THR . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4517 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4518 ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4520 ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4522 ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' 4518 ' ' TYR . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4524 ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4534 ' ' LEU . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4525 ' ' LEU . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' 4538 ' ' ASP . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' 4536 ' ' GLU . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.592 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.592 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.459 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4557 ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' 4561 ' ' LYS . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4561 ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' 4557 ' ' ARG . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.612 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.453 ' HB2' HG13 ' A' 4581 ' ' ILE . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.453 HG13 ' HB2' ' A' 4572 ' ' LEU . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4593 ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4599 ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' 4417 ' ' VAL . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4600 ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 4416 ' ' PRO . . . . . 0.456 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4435 ' ' MET . . . . . 0.413 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4440 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4454 ' ' CYS . . . . . 0.403 ' HA ' ' CE2' ' A' 4493 ' ' PHE . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4455 ' ' THR . . . . . 0.456 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.826 ' N ' HD23 ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.461 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4493 ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' 4454 ' ' CYS . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.438 ' HG3' ' OG1' ' A' 4553 ' ' THR . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.511 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4518 ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4522 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 4526 ' ' GLU . 29.0 mm100 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' 4562 ' ' LEU . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4526 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.5 ' HB2' HD12 ' A' 4562 ' ' LEU . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.438 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4593 ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' 4598 ' ' LEU . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.92 0.3 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4428 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4432 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' 4437 ' ' ARG . 44.8 t-80 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.521 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4449 ' ' LEU . . . . . 0.446 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4451 ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' 4455 ' ' THR . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4455 ' ' THR . . . . . 0.549 HG23 ' O ' ' A' 4451 ' ' ALA . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4467 ' ' PHE . . . . . 0.419 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4468 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A 4478 ' ' VAL . . . . . 0.446 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4479 ' ' ASP . . . . . 0.426 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4481 ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' 4479 ' ' ASP . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.724 ' CG2' HG21 ' A' 4473 ' ' VAL . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' 4521 ' ' GLY . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.403 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4517 ' ' TYR . . . . . 0.562 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.419 ' HB2' HD12 ' A' 4562 ' ' LEU . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.53 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.586 HG21 HG23 ' A' 4543 ' ' VAL . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.415 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4543 ' ' VAL . . . . . 0.586 HG23 HG21 ' A' 4539 ' ' THR . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.508 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.508 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4593 ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' 4592 ' ' VAL . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.856 0.274 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' 4601 ' ' LEU . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4420 ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' 4448 ' ' LEU . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 4421 ' ' LEU . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' 4427 ' ' GLU . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4425 ' ' THR . . . . . 0.437 ' OG1' ' HG3' ' A' 4427 ' ' GLU . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4427 ' ' GLU . . . . . 0.437 ' HG3' ' OG1' ' A' 4425 ' ' THR . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.543 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4448 ' ' LEU . . . . . 0.61 ' CD1' HD11 ' A' 4420 ' ' ILE . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4467 ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4468 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4479 ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' 4481 ' ' ILE . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4480 ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4481 ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' 4479 ' ' ASP . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.427 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.492 ' HG3' ' OG1' ' A' 4553 ' ' THR . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' 4515 ' ' TRP . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' 4510 ' ' ALA . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4534 ' ' LEU . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4526 ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' 4530 ' ' LEU . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4530 ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' 4526 ' ' GLU . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4525 ' ' LEU . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.492 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' 4562 ' ' LEU . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.719 ' O ' ' CG ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.437 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.791 0.246 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' 4421 ' ' LEU . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4454 ' ' CYS . . . . . 0.463 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.409 ' HG3' ' OG1' ' A' 4553 ' ' THR . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.631 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.425 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.631 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4517 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4519 ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4524 ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4528 ' ' GLN . . . . . 0.775 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' 4543 ' ' VAL . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4543 ' ' VAL . . . . . 0.474 HG21 ' OE1' ' A' 4536 ' ' GLU . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4547 ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4550 ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.439 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.439 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 4562 ' ' LEU . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.639 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' 4572 ' ' LEU . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.432 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4585 ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.521 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4600 ' ' LEU . . . . . 0.442 HD13 HD12 ' A' 4421 ' ' LEU . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' 4604 ' ' ALA . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A 4606 ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' 4605 ' ' ALA . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' 4427 ' ' GLU . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4427 ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' 4422 ' ' ASP . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' 4603 ' ' ALA . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.608 ' HA ' HD23 ' A' 4598 ' ' LEU . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4464 ' ' GLY . . . . . 0.558 ' H ' HD21 ' A' 4598 ' ' LEU . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4469 ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' 4487 ' ' ASN . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.467 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 4483 ' ' VAL . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4517 ' ' TYR . . . . . 0.416 ' HB2' ' H ' ' A' 4520 ' ' ALA . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4520 ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' 4517 ' ' TYR . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.44 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' 4581 ' ' ILE . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.724 0.297 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' 4572 ' ' LEU . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.431 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4598 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 4461 ' ' PRO . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4600 ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4603 ' ' ALA . . . . . 0.73 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' 4439 ' ' LEU . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' H ' ' A' 4440 ' ' VAL . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4440 ' ' VAL . . . . . 0.425 ' H ' ' H ' ' A' 4439 ' ' LEU . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4475 ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' 4487 ' ' ASN . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' 4483 ' ' VAL . 23.3 t-20 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4524 ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 4562 ' ' LEU . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4526 ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' 4530 ' ' LEU . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4530 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 4526 ' ' GLU . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.518 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 4525 ' ' LEU . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' 4580 ' ' LYS . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A 4580 ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4592 ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' 4594 ' ' GLU . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4594 ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' 4592 ' ' VAL . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4602 ' ' GLU . . . . . 0.482 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.82 0.258 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4421 ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4487 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4492 ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4495 ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4507 ' ' ALA . . . . . 0.594 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' 4518 ' ' TYR . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4518 ' ' TYR . . . . . 0.418 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4534 ' ' LEU . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4529 ' ' TYR . . . . . 0.562 ' HB2' HD12 ' A' 4562 ' ' LEU . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4525 ' ' LEU . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' 4538 ' ' ASP . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4543 ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' 4544 ' ' PRO . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4544 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4571 ' ' TYR . . . . . 0.403 ' CD2' ' HG ' ' A' 4572 ' ' LEU . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4572 ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' 4571 ' ' TYR . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4600 ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A 4606 ' ' GLN . . . . . 0.664 ' OXT' ' HG2' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.835 0.265 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4420 ' ' ILE . . . . . 0.455 HG21 HD12 ' A' 4439 ' ' LEU . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4428 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4429 ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' 4434 ' ' ALA . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4434 ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 14.3 p30 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4439 ' ' LEU . . . . . 0.738 HD22 ' HB2' ' A' 4605 ' ' ALA . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4448 ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4455 ' ' THR . . . . . 0.474 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4459 ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4460 ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4466 ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4472 ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4473 ' ' VAL . . . . . 0.451 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4477 ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4483 ' ' VAL . . . . . 0.451 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4488 ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4491 ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4508 ' ' ALA . . . . . 0.568 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' 4515 ' ' TRP . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4515 ' ' TRP . . . . . 0.481 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.407 HD21 ' HA2' ' A' 4521 ' ' GLY . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4518 ' ' TYR . . . . . 0.412 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4521 ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' 4516 ' ' LEU . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4525 ' ' LEU . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4536 ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4538 ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' 4537 ' ' PRO . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4554 ' ' VAL . . . . . 0.568 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4565 ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4568 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.427 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A 4580 ' ' LYS . . . . . 0.427 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4585 ' ' ASP . . . . . 0.441 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4603 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A 4605 ' ' ALA . . . . . 0.738 ' HB2' HD22 ' A' 4439 ' ' LEU . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 4416 ' ' PRO . . . . . 0.556 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.923 0.301 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4417 ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4423 ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' A' 4604 ' ' ALA . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4426 ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4431 ' ' ILE . . . . . 0.442 HG21 ' HG ' ' A' 4449 ' ' LEU . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4436 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4437 ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4449 ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' 4431 ' ' ILE . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4451 ' ' ALA . . . . . 0.44 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4458 ' ' ILE . . . . . 0.43 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4486 ' ' ILE . . . . . 0.43 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4496 ' ' PHE . . . . . 0.517 ' CZ ' HD22 ' A' 4516 ' ' LEU . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 33.9 ttpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4509 ' ' GLN . . . . . 0.442 ' HG3' ' OG1' ' A' 4553 ' ' THR . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4510 ' ' ALA . . . . . 0.491 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4511 ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4513 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4514 ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4516 ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' 4496 ' ' PHE . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4525 ' ' LEU . . . . . 0.431 HD22 HD13 ' A' 4534 ' ' LEU . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4527 ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4534 ' ' LEU . . . . . 0.431 HD13 HD22 ' A' 4525 ' ' LEU . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4545 ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4553 ' ' THR . . . . . 0.442 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4559 ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4562 ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4566 ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' 4584 ' ' LYS . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4570 ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A 4581 ' ' ILE . . . . . 0.766 ' O ' HD12 ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4584 ' ' LYS . . . . . 0.435 ' HB3' ' HA2' ' A' 4566 ' ' GLY . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4586 ' ' ALA . . . . . 0.536 ' HB2' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4601 ' ' LEU . . . . . 0.533 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4604 ' ' ALA . . . . . 0.415 ' HB2' ' OG1' ' A' 4423 ' ' THR . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.416 ' HB3' ' HB3' ' A' 4397 ' ' HIS . 70.4 mtm . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.463 ' HA3' HG21 ' A' 4443 ' ' ILE . . . -110.22 -77.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -166.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -103.86 -101.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 -157.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -100.5 -60.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -164.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.2 -34.27 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.416 ' HB3' ' HB3' ' A' 4392 ' ' MET . 73.2 m80 -101.34 -73.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -168.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4398 ' ' HIS . . . . . 0.551 ' CG ' ' H ' ' A' 4399 ' ' HIS . 4.3 t-80 -104.47 -164.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -171.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.551 ' H ' ' CG ' ' A' 4398 ' ' HIS . 96.7 m-70 -68.75 151.07 47.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 72.4 p -136.71 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 25.6 p80 -67.36 179.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.46 160.09 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4403 ' ' GLN . . . . . 0.415 ' H ' ' HB1' ' A' 4567 ' ' ALA . 21.8 pt20 -164.75 -175.79 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 62.5 tp -82.06 104.32 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -135.05 -64.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 87.2 p -174.99 164.59 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 6.3 t90 -138.85 88.46 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 84.3 p -164.76 -179.01 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.2 t0 68.08 85.06 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.488 0.661 . . . . 0.0 110.881 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -56.2 171.4 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 61.8 p -126.68 75.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -95.23 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 57.11 63.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 68.7 p -116.56 -177.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4415 ' ' GLY . . . . . 0.411 ' HA3' ' HE ' ' A' 4599 ' ' ARG . . . 164.14 169.74 28.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.06 134.89 22.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4420 ' ' ILE . . . . . 0.441 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4428 ' ' LYS . . . . . 0.628 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4431 ' ' ILE . . . . . 0.441 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' 4437 ' ' ARG . 28.7 t-20 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.584 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4443 ' ' ILE . . . . . 0.463 HG21 ' HA3' ' A' 4393 ' ' GLY . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4454 ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' 4524 ' ' PHE . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' 4462 ' ' SER . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4462 ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4479 ' ' ASP . . . . . 0.437 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4481 ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' 4479 ' ' ASP . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 4487 ' ' ASN . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 4483 ' ' VAL . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.538 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.12 126.02 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4498 ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' 4500 ' ' ARG . 89.1 m-20 -66.49 130.77 94.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 110.942 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.87 62.3 6.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.236 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' A' 4498 ' ' ASP . 37.8 ptt180 -165.08 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 1.8 t -95.64 -28.63 14.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 56.46 60.17 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 82.6 p -72.12 -17.52 61.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt 49.9 78.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.538 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4520 ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' 4524 ' ' PHE . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4524 ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' 4520 ' ' ALA . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' 4535 ' ' ILE . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' 4562 ' ' LEU . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4525 ' ' LEU . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4535 ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' 4528 ' ' GLN . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4542 ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4567 ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' 4403 ' ' GLN . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m -112.87 128.65 56.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' 4581 ' ' ILE . 88.6 m -84.74 163.22 47.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 172.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.64 -62.26 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' 4577 ' ' THR . 88.6 tttt -156.33 109.5 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 4578 ' ' LYS . 11.2 t 175.67 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' 4579 ' ' LEU . 88.1 tttt 172.99 -37.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.51 ' HA ' ' H ' ' A' 4574 ' ' CYS . 11.1 mp 71.64 -58.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.81 93.49 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.531 HD13 ' SG ' ' A' 4574 ' ' CYS . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.465 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4585 ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4590 ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.436 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.7 -92.95 0.29 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -147.86 -138.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -170.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -62.3 108.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -169.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.547 ' O ' ' HB3' ' A' 4397 ' ' HIS . 42.2 m-70 -138.32 130.09 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' 4398 ' ' HIS . 32.3 p80 165.5 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -171.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4398 ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' 4397 ' ' HIS . 70.3 t60 175.86 156.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 168.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4400 ' ' SER . 30.4 m170 -96.05 38.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4400 ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' 4399 ' ' HIS . 83.7 p -176.4 169.75 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 168.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -59.47 113.42 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 54.9 ttm -160.19 156.94 27.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -138.69 104.57 5.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 82.8 mt -140.03 148.96 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -131.19 16.89 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.7 p -167.41 167.79 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -135.04 102.11 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.0 t -103.48 121.05 42.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.488 ' HB2' ' CD ' ' A' 4410 ' ' PRO . 1.6 p-10 -154.32 177.02 2.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.803 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.488 ' CD ' ' HB2' ' A' 4409 ' ' ASP . 36.9 Cg_exo -63.91 -179.54 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 178.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 81.9 p -74.5 -18.13 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -101.45 111.73 24.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -110.24 -40.23 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 67.6 p 44.87 -129.87 0.99 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 74.95 -151.06 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.475 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.99 156.02 30.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' 4601 ' ' LEU . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' 4421 ' ' LEU . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.51 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4446 ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' 4485 ' ' ARG . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4464 ' ' GLY . . . . . 0.526 ' H ' HD21 ' A' 4598 ' ' LEU . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4485 ' ' ARG . . . . . 0.412 ' HD2' ' HG3' ' A' 4446 ' ' GLN . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' 4483 ' ' VAL . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.443 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4490 ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4493 ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' 4490 ' ' GLN . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.26 155.4 46.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -89.27 149.67 43.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.51 0.672 . . . . 0.0 110.935 175.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -75.04 63.62 6.04 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.404 ' HG3' HG23 ' A' 4501 ' ' THR . 41.3 ptt180 175.0 -34.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -168.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4501 ' ' THR . . . . . 0.404 HG23 ' HG3' ' A' 4500 ' ' ARG . 54.4 p -98.59 -41.38 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 175.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.0 35.45 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.461 HG23 ' SD ' ' A' 4505 ' ' MET . 5.5 t -101.86 -22.28 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 -176.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt 66.6 126.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.461 ' SD ' HG23 ' A' 4503 ' ' THR . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.443 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' 4525 ' ' LEU . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 4521 ' ' GLY . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.415 HD23 HG23 ' A' 4554 ' ' VAL . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.7 HG23 HG13 ' A' 4554 ' ' VAL . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.7 HG13 HG23 ' A' 4553 ' ' THR . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m -95.51 138.15 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.587 ' HB3' ' HD3' ' A' 4575 ' ' PRO . 20.2 t -162.35 -48.92 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 175.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' 4574 ' ' CYS . 35.5 Cg_endo -77.96 155.36 30.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 173.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -96.27 -9.06 31.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 81.2 p -112.51 -25.41 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' 4580 ' ' LYS . 75.7 mmtt -110.11 -26.49 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 9.8 mp 53.46 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' 4578 ' ' LYS . 9.8 mtmp? -71.55 110.67 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -172.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' 4464 ' ' GLY . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.407 ' H ' ' HB3' ' A' 4598 ' ' LEU . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.422 ' HB2' HG11 ' A' 4417 ' ' VAL . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A 4603 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 4574 ' ' CYS . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A 4606 ' ' GLN . . . . . 0.55 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.701 ' HA ' ' NH2' ' A' 4447 ' ' ARG . 99.3 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -70.07 146.59 43.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4395 ' ' HIS . 95.3 m-70 -113.61 120.69 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.868 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' 4394 ' ' HIS . 53.4 p-80 177.84 172.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.787 163.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 84.0 t60 -96.18 113.94 25.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.44 ' NE2' ' HB3' ' A' 4399 ' ' HIS . 80.9 t60 -175.69 142.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -140.53 88.14 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.44 ' HB3' ' NE2' ' A' 4397 ' ' HIS . 66.3 t-80 -172.7 121.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 40.8 t -164.98 140.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -172.19 138.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 172.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 28.2 ptm -176.6 168.64 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -148.31 153.55 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -153.13 167.69 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.62 -66.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 9.2 t 64.07 -163.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -154.5 -45.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 8.9 t 64.58 -165.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -158.58 65.1 2.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -76.6 151.69 32.76 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.737 2.291 . . . . 0.0 112.386 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.8 p -112.66 -72.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4412 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4413 ' ' GLU . 88.6 tt0 -156.13 -65.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 168.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4413 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4412 ' ' GLU . 26.3 tp10 55.09 114.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -113.58 92.68 4.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.52 175.63 38.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.566 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.93 170.45 18.83 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.382 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.466 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4418 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 4598 ' ' LEU . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.859 ' HB3' HD11 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' 4439 ' ' LEU . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4443 ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' 4392 ' ' MET . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4447 ' ' ARG . . . . . 0.701 ' NH2' ' HA ' ' A' 4392 ' ' MET . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4448 ' ' LEU . . . . . 0.466 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4489 ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' 4492 ' ' ALA . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.467 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4492 ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' 4489 ' ' ALA . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4493 ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' 4494 ' ' CYS . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4494 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 4493 ' ' PHE . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.14 116.71 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -117.25 156.64 48.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.803 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' A' 4500 ' ' ARG . 38.9 Cg_endo -64.96 157.71 55.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.398 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' 4499 ' ' PRO . 93.1 mtt-85 77.23 -2.73 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4501 ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' 4502 ' ' LYS . 5.8 p -137.11 -43.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4502 ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' 4501 ' ' THR . 32.1 mmmt 35.83 77.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.0 t -157.73 -175.58 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.65 153.6 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' 4562 ' ' LEU . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.417 ' HB2' HD12 ' A' 4562 ' ' LEU . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' 4538 ' ' ASP . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.409 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.471 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.471 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' 4573 ' ' THR . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4573 ' ' THR . . . . . 0.477 ' N ' HD13 ' A' 4572 ' ' LEU . 89.8 m -81.16 118.26 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' 4579 ' ' LEU . 48.7 t -69.09 127.9 92.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 110.829 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -75.54 73.4 4.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -170.95 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 50.6 p -131.58 13.35 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 173.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.5 mttt 61.12 61.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 172.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.502 ' H ' ' HB3' ' A' 4574 ' ' CYS . 39.5 mt -117.65 169.06 9.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.04 105.44 12.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 4418 ' ' ALA . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4600 ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' 4421 ' ' LEU . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' 4600 ' ' LEU . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.426 ' HA ' HG12 ' A' 4483 ' ' VAL . 72.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 53.61 -110.58 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 169.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -127.07 17.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.833 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.555 ' O ' ' C ' ' A' 4396 ' ' HIS . 97.5 m-70 -105.91 -148.68 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -159.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' 4395 ' ' HIS . 61.0 t-80 -29.13 126.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 -168.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.35 -122.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -84.25 96.57 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 81.9 t60 -152.43 124.35 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 89.5 p -124.71 166.97 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.22 161.89 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 98.6 mmm -96.92 -127.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -72.16 166.6 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.984 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.01 179.23 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 56.93 53.69 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 13.3 t -90.53 -160.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.2 m95 -91.01 129.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 89.5 p -164.6 163.08 21.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -148.97 104.7 3.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.95 120.12 7.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.74 2.293 . . . . 0.0 112.279 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 10.7 t -170.65 148.2 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.16 -55.91 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 63.52 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.4 p -85.37 172.26 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -165.12 -156.66 9.22 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.16 -177.02 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.669 2.246 . . . . 0.0 112.268 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' 4437 ' ' ARG . 26.8 t-20 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.428 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4457 ' ' GLY . . . . . 0.44 ' H ' HH11 ' A' 4466 ' ' ARG . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4466 ' ' ARG . . . . . 0.44 HH11 ' H ' ' A' 4457 ' ' GLY . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' 4392 ' ' MET . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' 4488 ' ' LEU . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4497 ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' 4495 ' ' GLY . 25.9 mt-10 -47.95 133.93 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.93 153.35 39.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.27 76.66 2.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -165.13 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 68.8 p -118.28 -34.29 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 45.08 79.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 7.7 t -73.74 -11.71 60.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.197 -171.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt 61.66 66.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4506 ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' 4509 ' ' GLN . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.426 ' HB2' ' H ' ' A' 4506 ' ' SER . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' 4538 ' ' ASP . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' 4559 ' ' ALA . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m -108.24 126.74 53.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' 4579 ' ' LEU . 51.1 t -82.31 131.69 55.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 176.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.49 109.09 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -177.65 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.44 HG23 ' O ' ' A' 4577 ' ' THR . 11.8 t -176.72 44.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.068 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.9 mttt 62.81 61.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' 4574 ' ' CYS . 97.4 mt -96.47 99.38 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.44 111.82 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4593 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.48 ' H ' HG12 ' A' 4592 ' ' VAL . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.428 ' O ' ' NE2' ' A' 4395 ' ' HIS . 99.1 mmm . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.72 53.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 160.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -83.46 65.86 8.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.855 0.36 . . . . 0.0 110.806 -172.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' 4392 ' ' MET . 32.1 p80 -164.93 171.09 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 168.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.62 141.07 46.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -158.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -152.87 141.09 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 168.517 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -151.54 43.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 70.8 t60 -145.8 113.93 6.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -172.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 91.5 p -165.88 156.88 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -138.84 56.64 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 28.1 ptm -174.75 159.19 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 168.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.85 133.37 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 171.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -146.67 178.35 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -102.06 -78.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 92.7 p -150.09 171.76 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.0 m95 -100.06 26.87 6.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.968 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 87.8 p -79.2 172.65 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.67 84.08 14.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.16 114.3 3.72 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 85.3 m -124.17 102.61 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -150.42 97.54 2.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.99 90.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 54.4 p -152.99 172.28 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 130.57 167.55 12.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 166.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.08 -167.51 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.766 2.311 . . . . 0.0 112.287 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' 4601 ' ' LEU . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' 4438 ' ' ASN . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' 4487 ' ' ASN . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.494 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -164.1 145.36 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -113.83 138.35 22.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.13 81.64 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.393 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 176.15 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -167.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.2 t -125.29 -32.3 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 44.51 59.8 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.8 t -106.52 -28.69 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 -164.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.24 51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.431 ' H ' ' HG3' ' A' 4505 ' ' MET . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.467 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.467 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4517 ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4520 ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4548 ' ' ALA . . . . . 0.539 ' HB1' ' OG1' ' A' 4553 ' ' THR . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' 4559 ' ' ALA . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.539 ' OG1' ' HB1' ' A' 4548 ' ' ALA . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.424 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m -100.93 129.1 46.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 40.5 t -135.85 138.14 27.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 4603 ' ' ALA . 29.5 Cg_endo -62.48 117.83 4.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.7 tttt -165.0 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' 4578 ' ' LYS . 15.3 t -174.98 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.249 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.9 mttt -107.58 -22.57 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' 4578 ' ' LYS . 11.0 mp 72.26 -62.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 173.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.46 112.95 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.456 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4603 ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' 4575 ' ' PRO . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 115.23 163.31 13.95 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -166.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -149.09 -45.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -179.26 131.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -149.37 63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 53.7 t60 -158.06 162.22 38.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.86 108.9 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 172.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -89.54 173.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 88.7 p -157.26 172.47 18.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.56 137.96 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mmm -125.06 -162.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -83.22 -170.84 3.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -168.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.02 170.05 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 67.7 m -111.72 19.06 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -154.98 155.85 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 42.0 t -156.78 121.73 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -155.02 99.41 2.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.493 ' O ' ' HB ' ' A' 4411 ' ' THR . 87.2 Cg_endo -79.58 -176.05 3.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4411 ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' 4410 ' ' PRO . 31.1 m 81.46 -98.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 171.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 45.02 58.53 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -83.82 89.32 7.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 74.3 p -123.39 38.76 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.242 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -66.77 143.89 44.39 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -171.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.421 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo -84.93 -152.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4423 ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4455 ' ' THR . . . . . 0.421 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4466 ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' 4483 ' ' VAL . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4490 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4487 ' ' ASN . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4492 ' ' ALA . . . . . 0.613 ' O ' ' HB2' ' A' 4507 ' ' ALA . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4497 ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' 4502 ' ' LYS . 36.5 mt-10 66.03 -175.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 55.3 p30 -126.89 147.26 60.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.527 0.68 . . . . 0.0 110.849 168.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -75.07 80.69 2.39 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -175.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.47 ' HG3' HG23 ' A' 4501 ' ' THR . 33.1 ptt180 175.15 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4501 ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' 4500 ' ' ARG . 28.5 p -123.11 -40.04 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4502 ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' 4497 ' ' GLU . 30.4 mmmt 61.85 94.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' 4504 ' ' LYS . 40.3 m -76.93 -26.23 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -165.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4504 ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' 4503 ' ' THR . 75.9 mmtt 66.7 70.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' 4505 ' ' MET . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' 4492 ' ' ALA . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.4 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' 4496 ' ' PHE . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.499 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p -114.89 133.81 55.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' 4575 ' ' PRO . 71.3 m -133.08 138.25 31.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 172.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.5 Cg_exo -55.04 138.67 79.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.268 . . . . 0.0 112.277 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.8 tttt 174.99 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.435 HG23 ' HG2' ' A' 4578 ' ' LYS . 14.2 t -174.96 -25.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 173.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' 4579 ' ' LEU . 75.4 mmtt -101.83 -21.03 14.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' 4578 ' ' LYS . 10.9 mp 65.56 -66.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -173.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.54 116.48 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.466 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -73.93 129.59 11.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.54 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.91 -170.6 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.911 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 78.2 m80 -62.17 76.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -126.81 171.18 11.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -86.9 115.78 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.9 101.62 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -147.45 71.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 34.5 t -136.96 107.1 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -164.7 -2.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.43 166.8 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -141.24 74.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.5 165.01 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.87 -82.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 83.7 p -174.0 -177.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.2 m95 -128.35 68.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 38.2 t -169.98 139.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.7 t0 -154.31 104.36 2.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 110.836 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.34 -167.3 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 43.0 p -110.74 -94.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4412 ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' 4413 ' ' GLU . 97.1 mt-10 62.47 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4413 ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' 4412 ' ' GLU . 84.4 mt-10 71.43 26.72 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 40.2 p -124.83 174.53 7.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 144.85 -146.95 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.369 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.77 -175.49 1.9 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.689 2.259 . . . . 0.0 112.398 -175.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4423 ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' 4604 ' ' ALA . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.577 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4453 ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' 4480 ' ' LYS . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4479 ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' 4481 ' ' ILE . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4480 ' ' LYS . . . . . 0.417 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4481 ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' 4479 ' ' ASP . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4482 ' ' MET . . . . . 0.431 ' HA ' ' HE ' ' A' 4485 ' ' ARG . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.417 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4485 ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' 4482 ' ' MET . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.49 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 59.7 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4497 ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' 4503 ' ' THR . 17.0 pt-20 -169.18 168.28 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -64.5 116.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.941 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' 4500 ' ' ARG . 73.5 Cg_endo -77.84 73.05 5.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.602 2.202 . . . . 0.0 112.451 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.0 ptt180 175.14 -34.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.7 t -124.4 -21.59 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 65.0 125.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' 4497 ' ' GLU . 44.0 p -125.68 -30.25 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -172.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.0 mttt 65.01 -74.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' 4505 ' ' MET . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' 4553 ' ' THR . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4534 ' ' LEU . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4525 ' ' LEU . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.432 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.432 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4561 ' ' LYS . . . . . 0.712 ' O ' HG13 ' A' 4565 ' ' VAL . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' 4562 ' ' LEU . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4565 ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' 4561 ' ' LYS . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4569 ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m -92.29 124.0 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 49.6 t -93.6 144.25 27.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.955 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.66 -11.12 31.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.605 2.204 . . . . 0.0 112.349 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.9 -179.94 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 82.0 p -68.83 -20.2 64.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -93.8 76.73 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.64 -56.09 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -73.55 111.52 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4582 ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.535 ' HB2' ' HB ' ' A' 4423 ' ' THR . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 68.7 mtp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 56.87 57.99 16.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.439 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -127.68 160.32 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -129.8 -33.59 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -165.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -114.92 -124.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 -165.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.93 113.87 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -166.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -125.52 110.99 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.35 -7.41 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -165.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 38.8 t 59.95 -118.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 66.64 66.52 0.45 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -172.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.32 159.86 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -109.98 176.68 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.72 159.06 26.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -91.48 59.96 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 166.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 22.7 t 60.21 -120.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.02 73.68 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 92.3 p -134.14 11.47 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' 4410 ' ' PRO . 43.2 p30 -83.95 165.58 38.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 4409 ' ' ASP . 14.9 Cg_exo -83.66 7.61 5.1 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 -169.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4411 ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' 4412 ' ' GLU . 62.7 p -73.26 -170.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -162.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4412 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 4411 ' ' THR . 7.2 pm0 -31.77 119.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -164.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.35 149.48 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.2 p -90.7 -108.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -170.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4415 ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' 4416 ' ' PRO . . . -54.12 -46.5 70.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -160.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' 4415 ' ' GLY . 18.9 Cg_exo -46.17 143.03 8.05 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.58 2.187 . . . . 0.0 112.349 -168.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.42 HD21 HD23 ' A' 4426 ' ' LEU . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4429 ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' 4434 ' ' ALA . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' 4429 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 8.7 p30 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4482 ' ' MET . . . . . 0.469 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' 4495 ' ' GLY . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 43.54 60.36 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.4 p30 -75.88 167.08 39.89 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.517 0.675 . . . . 0.0 110.919 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' 4500 ' ' ARG . 36.8 Cg_exo -60.75 -179.87 0.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.346 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' 4499 ' ' PRO . 98.5 mtt180 77.13 -48.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 -39.79 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -171.767 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 46.2 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 174.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.9 t -133.19 160.7 36.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -93.35 127.2 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.494 HD21 ' HA3' ' A' 4521 ' ' GLY . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.591 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.494 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' 4562 ' ' LEU . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4548 ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' 4553 ' ' THR . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' 4559 ' ' ALA . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.463 HG23 ' HB1' ' A' 4548 ' ' ALA . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.474 HG12 ' HB1' ' A' 4508 ' ' ALA . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4573 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 4579 ' ' LEU . 97.3 m -111.29 128.61 56.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.452 ' SG ' HD11 ' A' 4581 ' ' ILE . 93.3 m -108.36 163.32 17.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.02 67.65 8.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.629 2.219 . . . . 0.0 112.333 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -165.59 168.91 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 79.8 m -50.52 -34.82 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.42 75.7 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' 4573 ' ' THR . 66.6 mt -74.35 -70.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.997 -168.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.12 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -174.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.452 HD11 ' SG ' ' A' 4574 ' ' CYS . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.69 -129.2 24.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 -170.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 32.4 p80 -175.69 143.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -177.58 165.98 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -161.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' 4492 ' ' ALA . 60.3 t-80 -168.3 145.2 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 166.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.58 ' HA ' ' HA ' ' A' 4454 ' ' CYS . 75.8 t60 -76.39 157.72 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4398 ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' 4454 ' ' CYS . 2.4 p-80 -140.01 140.07 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 165.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' 4535 ' ' ILE . 17.9 m-70 -54.83 119.91 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 47.1 t -128.02 92.54 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -123.07 106.29 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mtp -84.82 64.79 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -169.93 132.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 60.3 tp -142.38 110.86 6.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 61.67 19.63 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 31.2 t -177.36 144.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 46.5 m0 -85.04 64.88 8.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 34.4 t -172.16 152.11 2.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.0 t0 -143.88 81.0 12.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.77 66.99 8.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -125.0 -77.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.15 160.11 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.68 93.11 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.877 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -124.11 177.25 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.26 -176.95 42.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.85 178.57 6.37 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4454 ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' 4397 ' ' HIS . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4467 ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4468 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.428 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' 4397 ' ' HIS . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4492 ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' 4397 ' ' HIS . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -159.88 119.94 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -64.79 140.68 98.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.854 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.08 64.59 6.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.617 2.211 . . . . 0.0 112.422 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -166.77 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 70.3 p -78.04 -34.69 50.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 49.62 44.84 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 13.1 t -95.25 -171.66 2.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.64 90.24 2.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4524 ' ' PHE . . . . . 0.482 ' CE2' ' HA2' ' A' 4521 ' ' GLY . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.516 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4526 ' ' GLU . . . . . 0.431 ' HG2' HG11 ' A' 4565 ' ' VAL . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.489 ' HB2' HD12 ' A' 4562 ' ' LEU . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4535 ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' 4399 ' ' HIS . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4547 ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4565 ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' 4526 ' ' GLU . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' 4586 ' ' ALA . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m -112.39 126.8 55.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' 4579 ' ' LEU . 70.1 m -112.17 165.26 13.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.836 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.18 -69.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -165.03 94.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 173.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.3 t -179.57 -30.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -132.75 -44.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.487 ' H ' ' HB2' ' A' 4574 ' ' CYS . 83.1 mt 64.94 -105.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 166.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -86.51 89.55 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4586 ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' 4572 ' ' LEU . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.484 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A 4606 ' ' GLN . . . . . 0.436 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.627 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 23.56 -113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 -148.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.627 ' C ' ' O ' ' A' 4393 ' ' GLY . 73.7 m80 13.13 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 161.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -108.16 -101.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 165.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 71.73 141.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 165.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.2 p80 -175.96 15.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 166.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 7.5 p80 -164.08 -141.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -170.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -66.7 -53.2 36.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 68.3 m 59.82 66.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -153.54 134.95 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4402 ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' 4527 ' ' VAL . 36.7 mmt -66.58 158.86 28.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4403 ' ' GLN . . . . . 0.684 ' O ' ' HB2' ' A' 4451 ' ' ALA . 30.8 tt0 -147.34 73.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -173.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' 4451 ' ' ALA . 43.4 tp -132.32 145.22 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.11 15.39 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4406 ' ' SER . . . . . 0.417 ' H ' ' HG ' ' A' 4404 ' ' LEU . 90.7 p -163.43 148.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4407 ' ' TRP . . . . . 0.511 ' HB2' ' HB ' ' A' 4531 ' ' THR . 54.5 t90 -118.86 -91.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 172.415 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4408 ' ' SER . . . . . 0.454 ' HB3' ' HD3' ' A' 4410 ' ' PRO . 50.1 m 53.39 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.585 ' N ' ' CD ' ' A' 4410 ' ' PRO . 56.9 p-10 -139.47 44.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' 4409 ' ' ASP . 90.5 Cg_endo -71.08 158.2 55.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.232 . . . . 0.0 112.396 174.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 74.8 p -130.26 15.57 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -128.21 -65.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -119.6 77.8 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4414 ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' 4410 ' ' PRO . 55.2 p -76.31 164.86 25.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -161.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -102.54 -61.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.512 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -53.69 149.56 31.89 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.713 2.275 . . . . 0.0 112.411 -171.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4425 ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4427 ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 4439 ' ' LEU . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' 4438 ' ' ASN . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4448 ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' 4451 ' ' ALA . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4450 ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' 4402 ' ' MET . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4451 ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' 4403 ' ' GLN . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4452 ' ' GLN . . . . . 0.429 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4454 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4457 ' ' GLY . . . . . 0.449 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.429 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4462 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4466 ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -144.73 150.22 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.44 149.06 71.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.852 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.39 45.03 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.39 -44.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 33.4 p -134.38 -7.94 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4502 ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' 4502 ' ' LYS . 10.2 mptt 55.65 31.26 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.9 t -54.59 147.51 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.13 155.64 38.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' 4493 ' ' PHE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' 4553 ' ' THR . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.458 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.458 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.622 ' HB3' HD11 ' A' 4562 ' ' LEU . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4527 ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' 4404 ' ' LEU . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' 4562 ' ' LEU . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4531 ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' 4407 ' ' TRP . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.527 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.453 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4543 ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4544 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4547 ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4549 ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.402 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4569 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m -113.36 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' 4575 ' ' PRO . 81.0 m -94.78 140.83 22.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -175.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.8 Cg_exo -56.72 116.67 3.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.9 tttt 174.97 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 88.5 m -153.9 -74.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -144.33 80.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.9 mp -107.57 80.35 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4582 ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' 4569 ' ' SER . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.477 ' OH ' ' HA ' ' A' 4403 ' ' GLN . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4597 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.436 ' HE1' ' HG3' ' A' 4480 ' ' LYS . 73.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' 4392 ' ' MET . . . -39.8 -37.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 34.6 p80 -66.37 179.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.806 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.44 ' HA ' ' CG2' ' A' 4432 ' ' THR . 31.5 p80 -71.31 163.42 27.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -161.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -141.8 81.28 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 48.1 m80 -122.61 9.97 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -140.58 43.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.573 ' O ' ' HB2' ' A' 4400 ' ' SER . 95.4 m-70 -146.04 44.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4400 ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' 4399 ' ' HIS . 13.7 t 155.58 124.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.54 40.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 63.7 tpp -170.86 134.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -160.8 114.88 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' 4405 ' ' ALA . 51.2 tp -164.41 134.02 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4405 ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' 4404 ' ' LEU . . . 152.59 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 43.7 t -154.25 115.2 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 12.9 t90 -89.61 -62.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.1 t 65.37 -165.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.9 t0 -148.02 114.82 3.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.423 ' O ' ' HB ' ' A' 4411 ' ' THR . 41.1 Cg_endo -68.63 117.31 4.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.62 2.214 . . . . 0.0 112.418 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4411 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 4411 ' ' THR . 8.9 t 179.58 77.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -123.97 81.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 44.8 p -134.04 90.71 2.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.107 -169.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 137.36 174.09 13.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.3 -171.49 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' 4599 ' ' ARG . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4432 ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' 4395 ' ' HIS . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4435 ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4440 ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4462 ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4466 ' ' ARG . . . . . 0.455 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4479 ' ' ASP . . . . . 0.434 ' HB3' HG12 ' A' 4481 ' ' ILE . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4480 ' ' LYS . . . . . 0.436 ' HG3' ' HE1' ' A' 4392 ' ' MET . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4481 ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' 4479 ' ' ASP . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' 4489 ' ' ALA . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4489 ' ' ALA . . . . . 0.617 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4492 ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -168.41 157.04 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 59.1 p30 -99.92 156.46 35.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.809 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.69 55.45 5.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.61 -49.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.8 t -142.75 3.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 55.63 32.14 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.0 t -51.42 154.1 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4504 ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt -114.34 106.04 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -166.305 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.411 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.459 ' HG3' ' OG1' ' A' 4553 ' ' THR . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4517 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4518 ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4520 ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4522 ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' 4518 ' ' TYR . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4524 ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4534 ' ' LEU . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4525 ' ' LEU . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' 4538 ' ' ASP . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' 4536 ' ' GLU . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.592 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.592 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.459 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4557 ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' 4561 ' ' LYS . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4561 ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' 4557 ' ' ARG . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.612 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.453 ' HB2' HG13 ' A' 4581 ' ' ILE . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m -102.05 127.69 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.8 t -143.3 129.21 10.19 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.598 0.713 . . . . 0.0 110.91 174.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 117.16 4.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' A' 4576 ' ' LYS . 58.1 tptt -176.92 35.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.708 ' O ' HG22 ' A' 4577 ' ' THR . 39.7 m 55.06 27.98 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -171.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.0 mttt -130.04 -46.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' 4578 ' ' LYS . 63.6 mt 74.2 -64.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.2 116.46 23.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.453 HG13 ' HB2' ' A' 4572 ' ' LEU . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4593 ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4595 ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' 4411 ' ' THR . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4599 ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' 4417 ' ' VAL . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4600 ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.425 ' HB3' ' CA ' ' A' 4464 ' ' GLY . 94.4 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' 4459 ' ' ILE . . . -111.18 -109.42 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -161.068 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.436 ' O ' ' CD1' ' A' 4467 ' ' PHE . 73.0 t60 -154.45 149.69 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -157.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' 4396 ' ' HIS . 33.9 t60 85.25 75.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 165.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.704 ' O ' ' CB ' ' A' 4397 ' ' HIS . 87.3 m-70 75.78 147.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 160.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.704 ' CB ' ' O ' ' A' 4396 ' ' HIS . 61.1 t-80 113.68 80.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 166.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -169.83 143.76 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -149.3 163.92 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 13.2 t -143.25 -167.11 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.02 -171.72 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 92.9 mmm -95.1 -145.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -111.19 86.97 2.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 68.4 tp -155.03 113.36 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 48.76 44.81 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 36.9 t -82.57 108.19 15.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -73.57 113.66 10.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 37.1 t -97.14 129.49 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.442 ' HB2' ' HD2' ' A' 4410 ' ' PRO . 49.7 p30 -154.93 168.46 12.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' 4409 ' ' ASP . 45.3 Cg_exo -59.27 157.4 30.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.4 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -84.99 -95.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -158.94 133.22 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.24 55.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.1 p -134.2 179.64 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.26 148.26 8.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.456 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo -68.1 -174.23 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.614 2.21 . . . . 0.0 112.365 171.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4435 ' ' MET . . . . . 0.413 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4440 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4454 ' ' CYS . . . . . 0.403 ' HA ' ' CE2' ' A' 4493 ' ' PHE . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4455 ' ' THR . . . . . 0.456 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' A' 4393 ' ' GLY . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' 4394 ' ' HIS . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4464 ' ' GLY . . . . . 0.425 ' CA ' ' HB3' ' A' 4392 ' ' MET . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' 4394 ' ' HIS . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4467 ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' 4394 ' ' HIS . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.826 ' N ' HD23 ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.461 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4493 ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' 4454 ' ' CYS . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4497 ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' A' 4498 ' ' ASP . 5.8 pt-20 -48.96 -71.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4498 ' ' ASP . . . . . 0.459 ' H ' ' HG3' ' A' 4497 ' ' GLU . 52.4 t0 -179.45 102.49 0.19 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.57 0.7 . . . . 0.0 110.836 -170.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' 4500 ' ' ARG . 56.2 Cg_endo -74.64 74.85 3.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.5 ptt180 174.95 -34.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 14.7 t -137.49 -29.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 70.83 141.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' 4504 ' ' LYS . 17.1 p -119.33 -38.83 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -171.159 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4504 ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' 4503 ' ' THR . 98.8 mttt 64.96 124.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -168.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.438 ' HG3' ' OG1' ' A' 4553 ' ' THR . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.511 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4518 ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4522 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 4526 ' ' GLU . 29.0 mm100 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' 4562 ' ' LEU . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4526 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.5 ' HB2' HD12 ' A' 4562 ' ' LEU . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.438 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m -105.65 127.3 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.4 t -117.98 142.55 31.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.94 -3.42 13.89 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 83.2 tttt -46.54 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 14.8 t -174.97 -24.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 4580 ' ' LYS . 99.5 mttt -92.51 -14.35 28.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -175.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.6 mp 53.85 -75.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -172.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.3 tttt -73.21 110.74 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4593 ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' 4598 ' ' LEU . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' 4395 ' ' HIS . . . 118.42 -113.5 2.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -171.21 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 28.2 t60 -50.4 84.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -158.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' 4393 ' ' GLY . 98.1 m-70 -134.96 -176.39 4.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 174.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 4397 ' ' HIS . 97.0 m-70 54.45 -114.46 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -165.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 4396 ' ' HIS . 99.4 m-70 65.43 104.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.11 142.32 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -167.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -105.08 137.64 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -172.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.5 p -158.33 160.7 37.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -169.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -164.74 169.9 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -166.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 67.3 ttp -141.45 128.39 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4403 ' ' GLN . . . . . 0.499 ' HG3' ' HE3' ' A' 4580 ' ' LYS . 18.9 pt20 -162.42 -169.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.704 HD23 ' H ' ' A' 4404 ' ' LEU . 2.0 pt? -125.14 165.16 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -169.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.04 150.41 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 85.5 p -62.86 172.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4407 ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' 4408 ' ' SER . 45.7 t90 -148.88 -62.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 -169.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4408 ' ' SER . . . . . 0.405 ' O ' ' CE3' ' A' 4407 ' ' TRP . 22.8 t 63.02 -124.1 0.61 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.9 t0 -133.37 81.12 56.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.825 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.35 -171.29 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 64.9 p -101.86 167.45 10.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 169.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.28 94.84 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -166.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4413 ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' 4588 ' ' ASP . 95.6 mt-10 -94.73 151.83 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 154.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 65.6 p -130.5 157.83 41.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 160.83 157.18 8.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.37 117.4 4.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.281 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4428 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4432 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' 4437 ' ' ARG . 44.8 t-80 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.521 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4449 ' ' LEU . . . . . 0.446 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4451 ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' 4455 ' ' THR . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4455 ' ' THR . . . . . 0.549 HG23 ' O ' ' A' 4451 ' ' ALA . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4467 ' ' PHE . . . . . 0.419 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4468 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A 4478 ' ' VAL . . . . . 0.446 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4479 ' ' ASP . . . . . 0.426 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4481 ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' 4479 ' ' ASP . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.724 ' CG2' HG21 ' A' 4473 ' ' VAL . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -161.87 160.04 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.29 138.9 25.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.13 99.69 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.77 2.314 . . . . 0.0 112.314 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -165.89 -54.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -177.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 14.9 t -139.16 8.39 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.237 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 45.14 78.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 11.6 t -76.31 168.36 20.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -174.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -119.08 97.06 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' 4521 ' ' GLY . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.403 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4517 ' ' TYR . . . . . 0.562 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.419 ' HB2' HD12 ' A' 4562 ' ' LEU . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.53 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.586 HG21 HG23 ' A' 4543 ' ' VAL . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.415 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4543 ' ' VAL . . . . . 0.586 HG23 HG21 ' A' 4539 ' ' THR . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.508 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.508 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m -97.43 131.63 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 51.6 t -116.02 132.2 23.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 110.877 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -80.98 66.69 8.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' 4576 ' ' LYS . 88.7 tttt -155.1 54.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.666 ' O ' HG22 ' A' 4577 ' ' THR . 45.7 m 63.43 11.83 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.097 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.403 ' C ' HD12 ' A' 4579 ' ' LEU . 65.3 pttt -143.22 173.95 11.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' 4578 ' ' LYS . 7.4 mp -121.72 -52.69 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.499 ' HE3' ' HG3' ' A' 4403 ' ' GLN . 75.6 mmtt -74.66 106.73 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -167.739 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4588 ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' A' 4413 ' ' GLU . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4593 ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' 4592 ' ' VAL . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.501 ' SD ' ' HA2' ' A' 4597 ' ' GLY . 97.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 110.18 -86.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -159.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 64.7 t60 -48.29 108.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 170.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.474 ' HE2' ' N ' ' A' 4392 ' ' MET . 99.6 m-70 -142.38 75.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.795 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' 4397 ' ' HIS . 11.2 p80 -163.74 -136.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' 4396 ' ' HIS . 52.9 t-80 -37.51 133.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -104.92 -170.98 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -161.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4400 ' ' SER . 88.5 m-70 -105.0 -158.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -171.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4400 ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' 4399 ' ' HIS . 47.5 t -38.67 125.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -173.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.15 -161.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 99.4 mmm -92.1 -124.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.929 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -103.6 100.74 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -169.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 96.2 mt -127.98 176.11 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.5 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 98.1 p -137.55 168.84 18.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4407 ' ' TRP . . . . . 0.734 ' O ' ' CE3' ' A' 4407 ' ' TRP . 86.3 t90 -158.68 55.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.8 t -164.23 121.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 56.0 t0 -155.27 70.19 5.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.2 72.1 4.89 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 86.3 m -133.25 118.08 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -172.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -122.12 110.22 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.804 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -120.28 146.73 45.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 64.1 p -124.9 149.28 47.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -152.83 -134.52 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -166.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -77.07 170.07 20.39 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' 4601 ' ' LEU . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4420 ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' 4448 ' ' LEU . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 4421 ' ' LEU . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' 4427 ' ' GLU . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4425 ' ' THR . . . . . 0.437 ' OG1' ' HG3' ' A' 4427 ' ' GLU . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4427 ' ' GLU . . . . . 0.437 ' HG3' ' OG1' ' A' 4425 ' ' THR . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.543 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4448 ' ' LEU . . . . . 0.61 ' CD1' HD11 ' A' 4420 ' ' ILE . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4467 ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4468 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4479 ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' 4481 ' ' ILE . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4480 ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4481 ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' 4479 ' ' ASP . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.427 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -127.84 158.26 38.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.92 129.52 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.854 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.427 ' O ' ' HB3' ' A' 4500 ' ' ARG . 83.2 Cg_endo -78.2 68.62 7.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' 4499 ' ' PRO . 39.7 ptt180 175.19 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 9.4 t -124.49 -23.48 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 59.81 59.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 172.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.9 t -51.95 160.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.99 91.57 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.492 ' HG3' ' OG1' ' A' 4553 ' ' THR . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' 4515 ' ' TRP . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' 4510 ' ' ALA . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4534 ' ' LEU . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4526 ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' 4530 ' ' LEU . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4530 ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' 4526 ' ' GLU . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4525 ' ' LEU . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.492 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' 4562 ' ' LEU . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.719 ' O ' ' CG ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4573 ' ' THR . . . . . 0.418 HG23 ' H ' ' A' 4579 ' ' LEU . 98.0 m -103.63 130.3 51.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' 4579 ' ' LEU . 73.5 m -79.4 165.12 50.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.734 . . . . 0.0 110.876 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.08 65.7 8.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.298 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' 4579 ' ' LEU . 88.2 tttt -141.72 -72.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' 4578 ' ' LYS . 87.2 m -149.12 -79.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.418 ' HG3' HG22 ' A' 4577 ' ' THR . 98.4 mttt -140.96 81.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4579 ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' 4574 ' ' CYS . 2.7 mm? -115.62 53.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -174.178 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.52 109.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4597 ' ' GLY . . . . . 0.501 ' HA2' ' SD ' ' A' 4392 ' ' MET . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.437 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.483 ' HG3' HD13 ' A' 4488 ' ' LEU . 37.8 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 154.2 -60.31 0.39 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 161.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.674 ' C ' ' O ' ' A' 4393 ' ' GLY . 86.3 t60 6.52 92.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 172.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 82.0 t60 -163.57 116.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.769 ' O ' ' CB ' ' A' 4397 ' ' HIS . 23.1 p80 -159.82 76.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.769 ' CB ' ' O ' ' A' 4396 ' ' HIS . 86.4 t60 124.96 155.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 33.3 p80 -162.98 166.5 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.3 138.63 52.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 44.7 t -155.99 108.76 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.68 89.29 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 27.8 ptm -152.61 166.78 31.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -171.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -144.95 178.71 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 33.8 tp -85.07 82.2 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -144.62 55.04 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.0 p -152.67 165.91 33.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4407 ' ' TRP . . . . . 0.511 ' O ' ' CE3' ' A' 4407 ' ' TRP . 69.6 p-90 -169.28 26.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 41.7 t -152.4 123.5 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.6 t0 -153.35 87.5 3.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.8 166.0 31.19 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.416 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 97.7 m -89.32 -52.86 4.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 48.48 69.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.84 123.02 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 70.6 p -132.04 -171.63 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.108 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -109.4 159.36 14.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -61.11 138.84 80.67 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' 4421 ' ' LEU . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4454 ' ' CYS . . . . . 0.463 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.483 HD13 ' HG3' ' A' 4392 ' ' MET . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -54.45 159.06 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.46 148.71 98.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.9 -177.5 3.48 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 74.98 -58.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -27.72 13.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 46.24 78.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.1 t -83.96 -172.2 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.13 155.22 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.409 ' HG3' ' OG1' ' A' 4553 ' ' THR . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.631 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.425 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.631 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4517 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4519 ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4524 ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4528 ' ' GLN . . . . . 0.775 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' 4543 ' ' VAL . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4543 ' ' VAL . . . . . 0.474 HG21 ' OE1' ' A' 4536 ' ' GLU . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4547 ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4550 ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.439 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.439 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 4562 ' ' LEU . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.639 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m -96.36 127.31 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.7 t -130.46 89.41 44.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 176.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.83 98.22 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -169.94 -44.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 84.8 m -150.09 -74.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -98.13 92.25 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.5 mp -64.98 -38.07 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -173.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.53 96.66 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' 4572 ' ' LEU . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.432 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4585 ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.521 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4600 ' ' LEU . . . . . 0.442 HD13 HD12 ' A' 4421 ' ' LEU . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' 4604 ' ' ALA . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A 4606 ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' 4605 ' ' ALA . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' 4399 ' ' HIS . 99.8 mmm . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -144.87 74.69 0.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 143.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -163.32 -162.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -168.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -81.24 -164.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -72.65 130.09 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -145.0 170.03 16.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -68.1 -18.24 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4399 ' ' HIS . . . . . 0.535 ' HB2' ' SD ' ' A' 4392 ' ' MET . 93.5 m-70 -60.93 174.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4400 ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' 4401 ' ' HIS . 38.6 t -72.45 -137.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -161.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4401 ' ' HIS . . . . . 0.405 ' N ' ' OG ' ' A' 4400 ' ' SER . 86.3 t60 -49.72 113.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -158.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 12.5 tpt -97.29 147.26 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -145.73 100.74 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 56.1 tp -163.17 147.17 10.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -117.69 60.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 73.7 m -128.05 126.79 41.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -134.02 77.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 75.5 m -131.28 68.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 2.8 p30 -158.34 149.16 16.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.7 176.63 9.65 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 44.3 p -116.36 -104.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 175.344 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4412 ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' 4413 ' ' GLU . 11.3 pt-20 175.07 -24.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.804 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4413 ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' 4412 ' ' GLU . 96.7 mt-10 65.15 -175.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 22.3 p 57.58 -157.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4415 ' ' GLY . . . . . 0.474 ' HA2' ' HD3' ' A' 4416 ' ' PRO . . . 114.93 133.51 5.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' ' HA2' ' A' 4415 ' ' GLY . 34.1 Cg_exo -60.28 -179.99 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' 4427 ' ' GLU . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4427 ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' 4422 ' ' ASP . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' 4603 ' ' ALA . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.608 ' HA ' HD23 ' A' 4598 ' ' LEU . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4464 ' ' GLY . . . . . 0.558 ' H ' HD21 ' A' 4598 ' ' LEU . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4469 ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' 4487 ' ' ASN . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.467 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 4483 ' ' VAL . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 70.91 152.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -134.27 151.64 76.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.625 0.726 . . . . 0.0 110.946 177.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 89.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 175.06 -34.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -169.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 2.4 t -129.9 -39.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 51.6 58.23 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' 4504 ' ' LYS . 7.3 t -100.06 -21.94 15.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4504 ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' 4503 ' ' THR . 97.7 mttt 67.3 137.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4517 ' ' TYR . . . . . 0.416 ' HB2' ' H ' ' A' 4520 ' ' ALA . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4520 ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' 4517 ' ' TYR . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.44 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' 4581 ' ' ILE . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m -92.74 120.84 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.9 t -153.33 92.35 3.23 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 172.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.87 70.26 5.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.89 0.53 5.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.882 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' 4578 ' ' LYS . 3.3 t -171.96 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' 4580 ' ' LYS . 62.6 pttt -151.46 14.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.85 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.8 tttt -72.59 114.14 10.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -172.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' 4572 ' ' LEU . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.431 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4598 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 4461 ' ' PRO . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4600 ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4603 ' ' ALA . . . . . 0.73 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' 4439 ' ' LEU . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.597 ' N ' ' HG ' ' A' 4406 ' ' SER . 97.7 mtp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' 4394 ' ' HIS . . . 102.79 81.59 1.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' 4393 ' ' GLY . 84.0 t60 -178.83 101.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.848 0.356 . . . . 0.0 110.808 162.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.85 135.31 46.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -165.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4396 ' ' HIS . . . . . 0.656 ' HA ' ' NE2' ' A' 4490 ' ' GLN . 49.9 p-80 -89.8 179.05 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 162.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4397 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4398 ' ' HIS . 76.6 t60 -57.76 -68.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.882 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4398 ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' 4397 ' ' HIS . 49.6 p-80 24.6 -141.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -160.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -100.46 -80.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 42.4 t -168.39 134.57 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -123.92 173.87 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 168.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 60.5 ttm -133.26 107.04 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 168.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -178.2 150.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -172.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' 4392 ' ' MET . 52.5 mt -125.85 105.84 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -154.66 67.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4406 ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' 4392 ' ' MET . 94.7 p -121.83 166.28 14.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 176.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -122.43 83.37 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4408 ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' 4409 ' ' ASP . 95.3 p -100.58 163.67 12.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' 4408 ' ' SER . 56.6 t0 178.45 -46.39 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.828 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 39.0 Cg_endo -83.68 177.19 6.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 78.5 m -110.53 -61.68 1.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 56.44 -124.52 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 62.91 52.65 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 76.8 p -128.17 73.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -89.97 170.32 36.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -171.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -65.34 114.68 2.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' H ' ' A' 4440 ' ' VAL . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4440 ' ' VAL . . . . . 0.425 ' H ' ' H ' ' A' 4439 ' ' LEU . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4475 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' 4487 ' ' ASN . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' 4483 ' ' VAL . 28.2 t30 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4490 ' ' GLN . . . . . 0.656 ' NE2' ' HA ' ' A' 4396 ' ' HIS . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -98.72 158.23 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -98.22 150.09 36.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.78 -7.8 19.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.338 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -99.89 -21.83 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.8 t -149.5 130.11 14.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -119.46 87.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 18.5 p -79.27 -13.35 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -171.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt 61.62 62.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4524 ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 4562 ' ' LEU . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4526 ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' 4530 ' ' LEU . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4530 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 4526 ' ' GLU . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.518 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 4525 ' ' LEU . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' 4580 ' ' LYS . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m -100.82 134.96 43.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.617 ' H ' ' HD2' ' A' 4575 ' ' PRO . 9.0 t -161.35 -51.27 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.715 0.769 . . . . 0.0 110.877 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' 4574 ' ' CYS . 97.3 Cg_endo -70.85 139.41 36.4 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.624 2.216 . . . . 0.0 112.367 174.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -94.67 65.87 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.0 t -175.19 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.83 -14.77 8.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 176.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 7.7 mp 57.27 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt -80.96 122.34 27.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -171.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4592 ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' 4594 ' ' GLU . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4594 ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' 4592 ' ' VAL . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4602 ' ' GLU . . . . . 0.482 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 83.49 40.74 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.562 164.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 80.2 m80 -71.79 71.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.813 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.42 71.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -121.85 131.21 53.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -56.07 127.99 33.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.75 145.82 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -105.05 -158.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.6 p -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -174.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -160.27 114.79 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 171.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 56.7 ttm -165.03 105.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -164.29 135.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 66.2 tp -144.47 111.37 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.81 75.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.8 p -140.05 165.71 26.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -134.68 109.86 8.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 93.8 p -148.27 161.35 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.468 ' N ' ' HD2' ' A' 4410 ' ' PRO . 95.7 m-20 -71.65 -47.91 12.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 4409 ' ' ASP . 95.9 Cg_endo -80.21 64.29 8.85 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 82.3 p -131.72 -9.15 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 170.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -164.17 151.16 11.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.87 -95.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 51.5 p 39.62 -147.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.86 124.16 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 169.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.87 -175.32 2.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.323 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4421 ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4487 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4492 ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4495 ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 39.3 -154.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 57.5 t0 -156.99 117.61 2.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 172.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' 4500 ' ' ARG . 61.0 Cg_endo -75.36 69.97 5.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4500 ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' 4499 ' ' PRO . 17.7 ptm180 175.03 -34.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 15.0 t -135.06 -24.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 60.77 94.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 29.1 p -70.69 -28.75 65.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp 57.7 57.99 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -172.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4507 ' ' ALA . . . . . 0.594 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' 4518 ' ' TYR . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4518 ' ' TYR . . . . . 0.418 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4534 ' ' LEU . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4529 ' ' TYR . . . . . 0.562 ' HB2' HD12 ' A' 4562 ' ' LEU . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4525 ' ' LEU . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' 4538 ' ' ASP . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4543 ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' 4544 ' ' PRO . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4544 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4571 ' ' TYR . . . . . 0.403 ' CD2' ' HG ' ' A' 4572 ' ' LEU . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' 4571 ' ' TYR . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m -90.85 123.69 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 83.7 m -80.19 124.64 82.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.3 Cg_exo -55.01 108.5 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' 4575 ' ' PRO . 85.0 tttt 176.46 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 62.7 p -134.99 55.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.6 mttt 57.24 53.85 7.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.11 96.03 7.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4600 ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A 4606 ' ' GLN . . . . . 0.664 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 107.46 121.5 4.69 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -168.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 25.3 p80 -163.5 -174.05 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 -169.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.38 157.87 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -112.46 -156.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -164.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.75 153.23 21.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -159.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -131.04 -165.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -75.09 157.33 34.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 -168.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 27.5 t -131.21 -138.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -167.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.53 166.15 23.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -172.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 26.5 ptt? -139.41 161.98 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -164.91 154.17 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -167.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.556 HD23 ' C ' ' A' 4404 ' ' LEU . 8.6 tt -129.1 129.82 45.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -97.68 -59.96 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.3 p -165.33 168.02 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 45.5 p90 -85.67 -6.01 59.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.5 t 64.91 -164.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.568 ' HB2' ' HD2' ' A' 4410 ' ' PRO . 56.3 p30 -127.04 172.22 6.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.568 ' HD2' ' HB2' ' A' 4409 ' ' ASP . 77.1 Cg_exo -55.88 130.47 40.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 11.8 t -168.23 145.55 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4412 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 4413 ' ' GLU . 40.9 tt0 -78.16 -69.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -176.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4413 ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' 4412 ' ' GLU . 69.2 mm-40 39.59 69.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 172.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 79.6 p -67.26 151.74 46.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -130.15 -172.54 13.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo -75.14 99.02 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4420 ' ' ILE . . . . . 0.455 HG21 HD12 ' A' 4439 ' ' LEU . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4428 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4429 ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' 4434 ' ' ALA . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4434 ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 14.3 p30 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4439 ' ' LEU . . . . . 0.738 HD22 ' HB2' ' A' 4605 ' ' ALA . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4448 ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4455 ' ' THR . . . . . 0.474 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4459 ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4460 ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4466 ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4471 ' ' ASP . . . . . 0.447 ' HB2' HD11 ' A' 4404 ' ' LEU . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4472 ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4473 ' ' VAL . . . . . 0.451 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4477 ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4483 ' ' VAL . . . . . 0.451 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4488 ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4491 ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.94 119.69 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4498 ' ' ASP . . . . . 0.561 ' HB2' ' HD2' ' A' 4499 ' ' PRO . 58.2 p30 -94.77 163.94 20.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 176.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4499 ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' 4498 ' ' ASP . 90.2 Cg_endo -76.43 59.32 6.08 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.767 2.311 . . . . 0.0 112.315 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.57 -41.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 23.4 p -124.04 -27.11 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt 52.54 58.44 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.5 t -155.96 164.53 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 173.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -99.93 65.0 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4505 ' ' MET . . . . . 0.43 ' HE2' ' CE3' ' A' 4515 ' ' TRP . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4508 ' ' ALA . . . . . 0.568 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' 4515 ' ' TRP . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4515 ' ' TRP . . . . . 0.481 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.407 HD21 ' HA2' ' A' 4521 ' ' GLY . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4518 ' ' TYR . . . . . 0.412 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4521 ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' 4516 ' ' LEU . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4525 ' ' LEU . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4536 ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4538 ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' 4537 ' ' PRO . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4554 ' ' VAL . . . . . 0.568 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4565 ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4568 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.427 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m -104.05 127.59 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' 4581 ' ' ILE . 74.4 m -122.24 88.67 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.81 90.35 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.273 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 56.1 tptt -174.92 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 85.5 m -149.39 -74.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.84 72.34 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -62.5 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4580 ' ' LYS . . . . . 0.427 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt -79.06 86.17 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -170.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4585 ' ' ASP . . . . . 0.441 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4603 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A 4605 ' ' ALA . . . . . 0.738 ' HB2' HD22 ' A' 4439 ' ' LEU . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A 4392 ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' 4572 ' ' LEU . 4.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4393 ' ' GLY . . . . . 0.532 ' HA3' ' H ' ' A' 4577 ' ' THR . . . -169.27 -154.95 9.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.461 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4394 ' ' HIS . . . . . 0.493 ' H ' ' HA ' ' A' 4576 ' ' LYS . 83.3 t60 -168.42 140.09 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.8 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4395 ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' 4395 ' ' HIS . 31.9 t-80 -160.26 57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 173.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.02 -173.97 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -148.31 134.25 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -143.58 177.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -132.92 69.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 23.3 t -145.07 81.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -127.58 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.961 -170.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 87.2 mmm 66.6 29.0 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -159.99 114.99 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.962 170.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4404 ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' 4405 ' ' ALA . 48.7 tp -166.92 135.03 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4405 ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' 4404 ' ' LEU . . . 176.82 -10.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.5 p -169.99 162.84 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.0 m95 -135.02 73.77 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.978 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4408 ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' 4409 ' ' ASP . 28.0 t -81.63 79.74 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -169.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4409 ' ' ASP . . . . . 0.57 ' C ' ' OD1' ' A' 4409 ' ' ASP . 1.5 t0 165.04 -58.15 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4410 ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 48.8 Cg_endo -77.47 170.25 19.67 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 26.4 m 74.98 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -125.85 -35.28 2.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 133.44 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 71.8 p -97.26 159.83 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -118.54 167.01 12.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -163.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4416 ' ' PRO . . . . . 0.556 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo -80.14 -166.99 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4417 ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4423 ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' A' 4604 ' ' ALA . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4426 ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4431 ' ' ILE . . . . . 0.442 HG21 ' HG ' ' A' 4449 ' ' LEU . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4436 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4437 ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4449 ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' 4431 ' ' ILE . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4451 ' ' ALA . . . . . 0.44 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4458 ' ' ILE . . . . . 0.43 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4486 ' ' ILE . . . . . 0.43 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4496 ' ' PHE . . . . . 0.517 ' CZ ' HD22 ' A' 4516 ' ' LEU . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 45.35 70.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -55.47 150.48 24.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.39 -14.14 42.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.426 -176.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -106.67 11.74 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4501 ' ' THR . . . . . 0.71 ' O ' HG23 ' A' 4501 ' ' THR . 10.1 t 179.92 84.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.207 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -84.56 98.49 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4503 ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' 4504 ' ' LYS . 43.0 p -119.99 -42.85 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -174.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4504 ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' 4503 ' ' THR . 33.9 ttpt 84.97 114.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4509 ' ' GLN . . . . . 0.442 ' HG3' ' OG1' ' A' 4553 ' ' THR . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4510 ' ' ALA . . . . . 0.491 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4511 ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4513 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4514 ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4516 ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' 4496 ' ' PHE . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4525 ' ' LEU . . . . . 0.431 HD22 HD13 ' A' 4534 ' ' LEU . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4527 ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4534 ' ' LEU . . . . . 0.431 HD13 HD22 ' A' 4525 ' ' LEU . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4545 ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4553 ' ' THR . . . . . 0.442 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4559 ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4562 ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4566 ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' 4584 ' ' LYS . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4570 ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4572 ' ' LEU . . . . . 0.507 ' HB3' ' SD ' ' A' 4392 ' ' MET . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p -122.12 147.91 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4574 ' ' CYS . . . . . 0.495 ' HB3' ' HD2' ' A' 4575 ' ' PRO . 1.2 m -129.96 -174.07 0.36 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.866 177.736 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4575 ' ' PRO . . . . . 0.53 ' O ' ' HB2' ' A' 4576 ' ' LYS . 70.4 Cg_exo -49.85 -48.42 19.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4576 ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' 4575 ' ' PRO . 84.3 tttt 165.11 110.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4577 ' ' THR . . . . . 0.532 ' H ' ' HA3' ' A' 4393 ' ' GLY . 86.5 m -155.01 -74.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 168.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4578 ' ' LYS . . . . . 0.489 ' HG3' HG22 ' A' 4577 ' ' THR . 94.5 mttt -119.29 -7.35 10.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.21 -108.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.63 110.63 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -174.31 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4581 ' ' ILE . . . . . 0.766 ' O ' HD12 ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4584 ' ' LYS . . . . . 0.435 ' HB3' ' HA2' ' A' 4566 ' ' GLY . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4586 ' ' ALA . . . . . 0.536 ' HB2' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4601 ' ' LEU . . . . . 0.533 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4604 ' ' ALA . . . . . 0.415 ' HB2' ' OG1' ' A' 4423 ' ' THR . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.793 0.247 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . 0.441 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . 0.628 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . 0.441 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' 4437 ' ' ARG . 16.2 t30 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.584 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' 4524 ' ' PHE . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' 4462 ' ' SER . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . 0.437 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' 4479 ' ' ASP . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 4487 ' ' ASN . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 4483 ' ' VAL . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.538 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.817 0.341 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.538 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' 4524 ' ' PHE . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' 4520 ' ' ALA . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' 4535 ' ' ILE . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' 4562 ' ' LEU . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4525 ' ' LEU . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' 4528 ' ' GLN . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.704 0.287 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.487 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.465 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.436 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo . . . . . 0 C--O 1.23 0.12 0 CA-C-O 120.771 0.238 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' 4601 ' ' LEU . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' 4421 ' ' LEU . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.51 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' 4485 ' ' ARG . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . 0.526 ' H ' HD21 ' A' 4598 ' ' LEU . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . 0.412 ' HD2' ' HG3' ' A' 4446 ' ' GLN . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' 4483 ' ' VAL . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.443 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' 4490 ' ' GLN . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.851 0.358 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.443 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' 4525 ' ' LEU . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 4521 ' ' GLY . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.415 HD23 HG23 ' A' 4554 ' ' VAL . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.7 HG23 HG13 ' A' 4554 ' ' VAL . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.7 HG13 HG23 ' A' 4553 ' ' THR . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 9.8 mtmp? . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.729 0.3 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' 4464 ' ' GLY . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.407 ' H ' ' HB3' ' A' 4598 ' ' LEU . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.422 ' HB2' HG11 ' A' 4417 ' ' VAL . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . 0.55 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo . . . . . 0 C--O 1.231 0.165 0 CA-C-O 120.768 0.237 . . . . 0.0 112.382 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.466 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 4598 ' ' LEU . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.859 ' HB3' HD11 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' 4439 ' ' LEU . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . 0.466 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' 4492 ' ' ALA . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.467 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' 4489 ' ' ALA . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' 4494 ' ' CYS . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 4493 ' ' PHE . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' 4562 ' ' LEU . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.417 ' HB2' HD12 ' A' 4562 ' ' LEU . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' 4538 ' ' ASP . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.409 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.471 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.471 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' 4573 ' ' THR . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . 0.477 ' N ' HD13 ' A' 4572 ' ' LEU . 89.8 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.751 0.31 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 4418 ' ' ALA . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' 4421 ' ' LEU . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' 4600 ' ' LEU . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo . . . . . 0 C--O 1.231 0.17 0 CA-C-O 120.812 0.255 . . . . 0.0 112.268 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' 4437 ' ' ARG . 12.9 t30 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.428 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . 0.44 ' H ' HH11 ' A' 4466 ' ' ARG . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . 0.44 HH11 ' H ' ' A' 4457 ' ' GLY . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' 4488 ' ' LEU . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' 4495 ' ' GLY . 25.9 mt-10 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.762 0.315 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' 4509 ' ' GLN . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.426 ' HB2' ' H ' ' A' 4506 ' ' SER . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' 4538 ' ' ASP . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' 4559 ' ' ALA . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.839 0.352 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.48 ' H ' HG12 ' A' 4592 ' ' VAL . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.834 0.264 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' 4601 ' ' LEU . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' 4438 ' ' ASN . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' 4487 ' ' ASN . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.494 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.74 0.305 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . 0.431 ' H ' ' HG3' ' A' 4505 ' ' MET . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.467 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.482 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.467 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . 0.539 ' HB1' ' OG1' ' A' 4553 ' ' THR . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' 4559 ' ' ALA . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.539 ' OG1' ' HB1' ' A' 4548 ' ' ALA . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.424 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt . . . . . 0 C--O 1.233 0.198 0 CA-C-O 120.778 0.323 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.456 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . 0.421 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.122 0 CA-C-O 120.782 0.242 . . . . 0.0 112.345 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . 0.421 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' 4483 ' ' VAL . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4487 ' ' ASN . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . 0.613 ' O ' ' HB2' ' A' 4507 ' ' ALA . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt . . . . . 0 CA--C 1.527 0.061 0 CA-C-O 120.754 0.311 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' 4505 ' ' MET . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' 4492 ' ' ALA . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.4 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' 4496 ' ' PHE . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.499 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.68 0.276 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.466 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo . . . . . 0 N--CA 1.464 -0.244 0 CA-C-O 120.769 0.237 . . . . 0.0 112.398 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' 4604 ' ' ALA . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.577 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' 4480 ' ' LYS . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' 4481 ' ' ILE . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . 0.417 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' 4479 ' ' ASP . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . 0.431 ' HA ' ' HE ' ' A' 4485 ' ' ARG . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.417 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' 4482 ' ' MET . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.49 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.0 mttt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' 4505 ' ' MET . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' 4553 ' ' THR . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4534 ' ' LEU . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4525 ' ' LEU . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.432 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.432 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . 0.712 ' O ' HG13 ' A' 4565 ' ' VAL . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' 4562 ' ' LEU . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' 4561 ' ' LYS . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.781 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.535 ' HB2' ' HB ' ' A' 4423 ' ' THR . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.806 0.252 . . . . 0.0 112.349 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.42 HD21 HD23 ' A' 4426 ' ' LEU . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' 4434 ' ' ALA . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' 4429 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.401 ' C ' HD22 ' A' 4438 ' ' ASN . 0.4 OUTLIER 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . 0.469 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' 4495 ' ' GLY . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.494 HD21 ' HA3' ' A' 4521 ' ' GLY . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.591 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.494 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' 4562 ' ' LEU . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' 4553 ' ' THR . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' 4559 ' ' ALA . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.463 HG23 ' HB1' ' A' 4548 ' ' ALA . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.474 HG12 ' HB1' ' A' 4508 ' ' ALA . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.3 m . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.743 0.306 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo . . . . . 0 C--O 1.232 0.209 0 CA-C-O 120.834 0.264 . . . . 0.0 112.386 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.428 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.796 0.332 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . 0.482 ' CE2' ' HA2' ' A' 4521 ' ' GLY . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.516 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . 0.431 ' HG2' HG11 ' A' 4565 ' ' VAL . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.489 ' HB2' HD12 ' A' 4562 ' ' LEU . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' 4526 ' ' GLU . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' 4586 ' ' ALA . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.773 0.321 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' 4572 ' ' LEU . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.484 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . 0.436 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo . . . . . 0 C--O 1.232 0.22 0 CA-C-O 120.75 0.229 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 4439 ' ' LEU . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' 4438 ' ' ASN . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' 4451 ' ' ALA . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . 0.529 ' HB3' ' O ' ' A' 4448 ' ' LEU . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . 0.429 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . 0.449 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.429 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.867 0.365 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' 4493 ' ' PHE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' 4553 ' ' THR . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.458 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.458 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.622 ' HB3' HD11 ' A' 4562 ' ' LEU . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' 4562 ' ' LEU . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.527 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.453 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.402 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.757 0.313 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' 4569 ' ' SER . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.437 ' O ' ' HG ' ' A' 4587 ' ' LEU . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo . . . . . 0 N--CA 1.465 -0.186 0 CA-C-O 120.809 0.254 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' 4599 ' ' ARG . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . 0.455 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . 0.434 ' HB3' HG12 ' A' 4481 ' ' ILE . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' 4479 ' ' ASP . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' 4489 ' ' ALA . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . 0.617 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.763 0.316 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.411 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.459 ' HG3' ' OG1' ' A' 4553 ' ' THR . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' 4518 ' ' TYR . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4534 ' ' LEU . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4525 ' ' LEU . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' 4538 ' ' ASP . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' 4536 ' ' GLU . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.592 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.592 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.459 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' 4561 ' ' LYS . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' 4557 ' ' ARG . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.612 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.453 ' HB2' HG13 ' A' 4581 ' ' ILE . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.735 0.303 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.453 HG13 ' HB2' ' A' 4572 ' ' LEU . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' 4417 ' ' VAL . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . 0.456 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo . . . . . 0 C--O 1.231 0.159 0 CA-C-O 120.831 0.263 . . . . 0.0 112.365 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . 0.413 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . 0.403 ' HA ' ' CE2' ' A' 4493 ' ' PHE . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . 0.456 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.826 ' N ' HD23 ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.461 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' 4454 ' ' CYS . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.438 ' HG3' ' OG1' ' A' 4553 ' ' THR . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.511 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 4526 ' ' GLU . 95.8 mm-40 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' 4562 ' ' LEU . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.5 ' HB2' HD12 ' A' 4562 ' ' LEU . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.438 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.762 0.315 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' 4598 ' ' LEU . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo . . . . . 0 N--CA 1.466 -0.132 0 CA-C-O 120.92 0.3 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.5 t60 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.521 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . 0.446 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' 4455 ' ' THR . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . 0.549 HG23 ' O ' ' A' 4451 ' ' ALA . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . 0.419 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . 0.446 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . 0.426 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' 4479 ' ' ASP . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.724 ' CG2' HG21 ' A' 4473 ' ' VAL . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.852 0.358 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' 4521 ' ' GLY . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.403 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . 0.562 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.419 ' HB2' HD12 ' A' 4562 ' ' LEU . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.53 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.586 HG21 HG23 ' A' 4543 ' ' VAL . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.415 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . 0.586 HG23 HG21 ' A' 4539 ' ' THR . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.508 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.508 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.765 0.316 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' 4592 ' ' VAL . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.856 0.274 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' 4601 ' ' LEU . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' 4448 ' ' LEU . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 4421 ' ' LEU . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' 4427 ' ' GLU . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . 0.437 ' OG1' ' HG3' ' A' 4427 ' ' GLU . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . 0.437 ' HG3' ' OG1' ' A' 4425 ' ' THR . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.543 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . 0.61 ' CD1' HD11 ' A' 4420 ' ' ILE . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' 4481 ' ' ILE . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' 4479 ' ' ASP . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.427 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.818 0.342 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.492 ' HG3' ' OG1' ' A' 4553 ' ' THR . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' 4515 ' ' TRP . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' 4510 ' ' ALA . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4534 ' ' LEU . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' 4530 ' ' LEU . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' 4526 ' ' GLU . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4525 ' ' LEU . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.492 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' 4562 ' ' LEU . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.719 ' O ' ' CG ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.851 0.358 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.437 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo . . . . . 0 C--O 1.232 0.216 0 CA-C-O 120.791 0.246 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' 4421 ' ' LEU . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . 0.463 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.742 0.306 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.409 ' HG3' ' OG1' ' A' 4553 ' ' THR . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.631 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.425 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.631 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . 0.775 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' 4543 ' ' VAL . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . 0.474 HG21 ' OE1' ' A' 4536 ' ' GLU . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.439 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.439 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 4562 ' ' LEU . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.639 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.656 0.265 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' 4572 ' ' LEU . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.432 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.521 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . 0.442 HD13 HD12 ' A' 4421 ' ' LEU . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' 4604 ' ' ALA . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' 4605 ' ' ALA . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.82 0.258 . . . . 0.0 112.35 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' 4427 ' ' GLU . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' 4422 ' ' ASP . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' 4603 ' ' ALA . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.608 ' HA ' HD23 ' A' 4598 ' ' LEU . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . 0.558 ' H ' HD21 ' A' 4598 ' ' LEU . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' 4487 ' ' ASN . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.467 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 4483 ' ' VAL . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.804 0.335 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . 0.416 ' HB2' ' H ' ' A' 4520 ' ' ALA . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' 4517 ' ' TYR . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.44 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' 4581 ' ' ILE . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.8 tttt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.724 0.297 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' 4572 ' ' LEU . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.431 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 4461 ' ' PRO . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . 0.73 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' 4439 ' ' LEU . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.83 0.262 . . . . 0.0 112.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' H ' ' A' 4440 ' ' VAL . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . 0.425 ' H ' ' H ' ' A' 4439 ' ' LEU . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . 0.431 ' O ' ' HG2' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' 4487 ' ' ASN . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' 4483 ' ' VAL . 23.3 t-20 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 120.77 0.319 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.5 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 4562 ' ' LEU . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' 4530 ' ' LEU . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 4526 ' ' GLU . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.518 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 4525 ' ' LEU . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' 4580 ' ' LYS . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.725 0.297 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' 4594 ' ' GLU . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' 4592 ' ' VAL . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . 0.482 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo . . . . . 0 C--O 1.231 0.149 0 CA-C-O 120.82 0.258 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.748 0.308 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . 0.594 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' 4518 ' ' TYR . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . 0.418 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4534 ' ' LEU . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . 0.562 ' HB2' HD12 ' A' 4562 ' ' LEU . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4525 ' ' LEU . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' 4538 ' ' ASP . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' 4544 ' ' PRO . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . 0.403 ' CD2' ' HG ' ' A' 4572 ' ' LEU . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' 4571 ' ' TYR . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.779 0.323 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . 0.664 ' OXT' ' HG2' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo . . . . . 0 C--O 1.232 0.189 0 CA-C-O 120.835 0.265 . . . . 0.0 112.367 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . 0.455 HG21 HD12 ' A' 4439 ' ' LEU . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' 4434 ' ' ALA . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . 0.738 HD22 ' HB2' ' A' 4605 ' ' ALA . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . 0.474 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . 0.451 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . 0.451 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.807 0.337 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . 0.568 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' 4515 ' ' TRP . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . 0.481 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.407 HD21 ' HA2' ' A' 4521 ' ' GLY . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . 0.412 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' 4516 ' ' LEU . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4525 ' ' LEU . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' 4537 ' ' PRO . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . 0.568 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.427 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . 0.427 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.821 0.343 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . 0.441 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . 0.738 ' HB2' HD22 ' A' 4439 ' ' LEU . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 4416 ' ' PRO . . . . . 0.556 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo . . . . . 0 N--CA 1.466 -0.106 0 CA-C-O 120.923 0.301 . . . . 0.0 112.311 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4417 ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4423 ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' A' 4604 ' ' ALA . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4426 ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4431 ' ' ILE . . . . . 0.442 HG21 ' HG ' ' A' 4449 ' ' LEU . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4436 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4437 ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4449 ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' 4431 ' ' ILE . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4451 ' ' ALA . . . . . 0.44 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4458 ' ' ILE . . . . . 0.43 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4486 ' ' ILE . . . . . 0.43 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4496 ' ' PHE . . . . . 0.517 ' CZ ' HD22 ' A' 4516 ' ' LEU . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 33.9 ttpt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.783 0.325 . . . . 0.0 110.956 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4509 ' ' GLN . . . . . 0.442 ' HG3' ' OG1' ' A' 4553 ' ' THR . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4510 ' ' ALA . . . . . 0.491 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4511 ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4513 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4514 ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4516 ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' 4496 ' ' PHE . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4525 ' ' LEU . . . . . 0.431 HD22 HD13 ' A' 4534 ' ' LEU . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4527 ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4534 ' ' LEU . . . . . 0.431 HD13 HD22 ' A' 4525 ' ' LEU . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4545 ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4553 ' ' THR . . . . . 0.442 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4559 ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4562 ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4566 ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' 4584 ' ' LYS . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4570 ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.233 0.186 0 CA-C-O 120.818 0.342 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A 4581 ' ' ILE . . . . . 0.766 ' O ' HD12 ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4584 ' ' LYS . . . . . 0.435 ' HB3' ' HA2' ' A' 4566 ' ' GLY . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4586 ' ' ALA . . . . . 0.536 ' HB2' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4601 ' ' LEU . . . . . 0.533 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4604 ' ' ALA . . . . . 0.415 ' HB2' ' OG1' ' A' 4423 ' ' THR . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.416 ' HB3' ' HB3' ' A' 4397 ' ' HIS . 70.4 mtm . . . . . 0 N--CA 1.458 -0.04 0 CA-C-O 120.819 0.342 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.463 ' HA3' HG21 ' A' 4443 ' ' ILE . . . -110.22 -77.0 0.9 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.444 -166.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 21.3 t-160 -103.86 -101.38 0.3 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.829 0.347 . . . . 0.0 110.814 -157.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 23.6 t-160 -100.5 -60.77 1.46 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 -164.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 86.4 t60 -57.2 -34.27 68.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 -176.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.416 ' HB3' ' HB3' ' A' 4392 ' ' MET . 73.2 m80 -101.34 -73.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -168.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . 0.551 ' CG ' ' H ' ' A' 4399 ' ' HIS . 24.6 t60 -104.47 -164.37 1.04 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 -171.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.551 ' H ' ' CG ' ' A' 4398 ' ' HIS . 96.7 m-70 -68.75 151.07 47.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 72.4 p -136.71 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 -172.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 25.6 p80 -67.36 179.16 1.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.849 -170.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 25.3 ptp -59.46 160.09 7.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.827 -173.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . 0.415 ' H ' ' HB1' ' A' 4567 ' ' ALA . 21.8 pt20 -164.75 -175.79 3.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 175.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 62.5 tp -82.06 104.32 12.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 177.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -135.05 -64.0 0.67 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.062 175.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 87.2 p -174.99 164.59 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 6.3 t90 -138.85 88.46 2.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 178.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 84.3 p -164.76 -179.01 5.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.2 t0 68.08 85.06 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.488 0.661 . . . . 0.0 110.881 173.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 40.1 Cg_exo -56.2 171.4 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.686 2.257 . . . . 0.0 112.329 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 61.8 p -126.68 75.72 1.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -172.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -95.23 164.16 12.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -177.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.8 mt-10 57.11 63.78 1.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.899 179.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 68.7 p -116.56 -177.16 3.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . 0.411 ' HA3' ' HE ' ' A' 4599 ' ' ARG . . . 164.14 169.74 28.1 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.467 176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -73.06 134.89 22.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.36 -178.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 97.3 t -102.47 118.32 49.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.106 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.43 -31.95 13.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.153 -173.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -160.85 -172.92 28.8 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.422 -174.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . 0.441 HG12 HD13 ' A' 4431 ' ' ILE . 41.7 mm -112.07 139.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.907 0.384 . . . . 0.0 111.079 -176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.453 HD23 ' C ' ' A' 4421 ' ' LEU . 6.3 tt -118.39 124.34 47.46 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.88 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.3 t0 -85.87 114.89 23.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 173.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 57.2 m -57.25 -29.32 63.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -68.34 -27.83 66.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.922 -175.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 82.1 p -130.61 -6.28 4.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -172.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.1 mp 44.32 48.17 7.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.941 -173.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -102.55 120.12 40.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.844 177.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . 0.628 ' HD2' ' O ' ' A' 4428 ' ' LYS . 0.0 OUTLIER -80.38 107.72 13.41 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 175.432 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.3 m -124.74 161.74 27.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.148 -172.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.7 p -66.83 164.75 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . 0.441 HD13 HG12 ' A' 4420 ' ' ILE . 46.5 mm -61.19 -41.51 89.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.122 176.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.5 m -65.82 -40.09 91.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 51.0 tp10 -64.99 -40.52 95.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 -178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.94 -41.22 91.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.052 177.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.6 tmm? -66.61 -36.27 82.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.876 175.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -67.24 -34.74 78.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 -178.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' 4438 ' ' ASN . 95.5 mtt180 -80.78 -76.56 0.23 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 -177.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.584 ' HB2' ' O ' ' A' 4437 ' ' ARG . 16.2 t30 169.24 25.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.584 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 96.9 mt -92.74 -33.5 14.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -174.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 26.1 m -141.43 160.74 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.106 -177.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.8 t0 -86.0 168.92 13.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.839 177.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 44.7 t30 -60.96 -41.74 96.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 176.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . 0.463 HG21 ' HA3' ' A' 4393 ' ' GLY . 41.5 mm -68.76 -43.06 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 37.8 m -63.95 -41.63 97.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.204 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.43 -39.18 97.44 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.476 174.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.03 -44.98 94.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.897 0.379 . . . . 0.0 110.931 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 44.5 tpt85 -67.38 -38.73 85.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 -176.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.52 -40.72 93.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.923 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 87.2 mt -66.8 -38.65 86.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 174.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.21 -38.96 91.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 173.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.88 -37.89 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.133 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -68.53 -37.95 80.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 175.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.24 -35.86 82.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 176.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . 0.406 ' SG ' ' HA ' ' A' 4524 ' ' PHE . 97.5 m -63.89 -29.37 70.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 174.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 38.6 p -93.54 35.02 1.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.223 175.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.44 -111.45 4.03 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.5 179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -97.1 170.25 25.94 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.41 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.2 mm -69.42 134.01 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 111.16 170.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 81.4 mt -108.22 121.21 60.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.065 -163.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 68.3 t0 -85.73 120.76 73.12 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 170.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.401 ' O ' ' HB2' ' A' 4462 ' ' SER . 36.2 Cg_endo -60.15 112.44 1.3 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.359 176.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . 0.401 ' HB2' ' O ' ' A' 4461 ' ' PRO . 34.6 t 175.63 -47.97 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.831 -175.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.7 t -174.35 25.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 79.95 45.85 8.09 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.546 174.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -70.67 153.24 43.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.941 0.401 . . . . 0.0 110.805 178.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.25 121.58 27.89 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.833 176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -131.03 140.95 40.23 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.615 0.721 . . . . 0.0 110.878 174.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.99 153.79 14.72 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.685 2.257 . . . . 0.0 112.334 172.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.9 t -62.35 -45.03 99.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 -176.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 99.3 m -67.58 -38.24 83.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.142 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.38 -37.4 77.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.462 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.99 -33.44 75.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.11 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' 4483 ' ' VAL . 70.4 t -66.76 -38.57 81.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 173.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -71.78 -34.42 69.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -175.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.95 54.3 0.41 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -178.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -145.89 -126.86 1.84 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.422 179.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.498 ' C ' ' CD2' ' A' 4477 ' ' LEU . 0.0 OUTLIER -142.0 38.3 1.61 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.89 0.376 . . . . 0.0 110.985 -179.106 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 89.1 t -118.97 137.88 51.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.116 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . 0.437 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.1 m-20 -73.14 138.94 46.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.835 174.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 5.6 tmmm? -60.59 -30.24 69.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.024 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . 0.437 HG12 ' HB3' ' A' 4479 ' ' ASP . 50.9 pt -66.61 -12.88 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 -177.143 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.3 mtt -102.04 -0.85 32.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 -172.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.526 ' O ' ' HB2' ' A' 4487 ' ' ASN . 63.1 t -61.96 -55.65 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -174.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -67.44 -36.56 81.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -65.55 -42.03 92.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -178.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.447 HG22 ' O ' ' A' 4486 ' ' ILE . 95.2 mt -87.17 -14.31 10.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.068 -178.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.526 ' HB2' ' O ' ' A' 4483 ' ' VAL . 21.3 t-20 -57.89 -34.23 69.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 -168.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.538 ' HG ' HD11 ' A' 4516 ' ' LEU . 0.3 OUTLIER -59.7 -33.71 71.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 177.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.24 -43.22 67.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.023 -171.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -74.61 -34.85 62.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.907 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -68.0 -28.55 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 174.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -59.4 -33.22 70.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.4 t80 -75.87 -47.51 25.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 174.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.5 t -175.35 85.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -175.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -146.95 -34.86 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.507 179.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 22.6 p90 -93.75 -1.22 55.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.342 . . . . 0.0 110.924 174.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -60.12 126.02 25.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 169.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . 0.459 ' HB3' ' HG2' ' A' 4500 ' ' ARG . 89.1 m-20 -66.49 130.77 94.15 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.565 0.698 . . . . 0.0 110.942 179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.87 62.3 6.52 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.677 2.252 . . . . 0.0 112.236 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.459 ' HG2' ' HB3' ' A' 4498 ' ' ASP . 37.8 ptt180 -165.08 -54.8 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.91 -173.189 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 1.8 t -95.64 -28.63 14.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 -179.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.8 mmmt 56.46 60.17 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 174.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 82.6 p -72.12 -17.52 61.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.158 -175.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.7 mttt 49.9 78.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 43.2 mtm -101.91 143.94 31.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.834 -174.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.2 p -82.41 166.56 19.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 173.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.75 95.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.097 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.41 -39.47 89.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.36 -36.69 81.91 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.964 176.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.85 -38.09 84.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.127 175.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.431 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.52 -40.53 85.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.922 178.229 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 61.1 tptt -68.68 -32.63 72.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -173.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.419 ' HB2' ' CD1' ' A' 4515 ' ' TRP . 99.4 mttt -112.19 -3.21 14.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.902 -175.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 78.8 32.24 41.49 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.456 170.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.419 ' CD1' ' HB2' ' A' 4513 ' ' LYS . 65.2 m95 -71.71 -50.51 29.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.825 0.345 . . . . 0.0 110.967 174.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.538 HD11 ' HG ' ' A' 4488 ' ' LEU . 38.0 tp -95.53 -95.01 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.846 -172.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 3.6 t80 -177.56 125.9 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.88 -173.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 89.6 t80 -59.18 -50.84 72.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.979 -169.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.41 -42.25 96.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -172.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . 0.475 ' HB1' ' CZ ' ' A' 4524 ' ' PHE . . . -74.89 -46.69 34.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.061 -177.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.48 -40.63 98.94 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.674 -0.775 . . . . 0.0 112.511 -175.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -63.08 -37.9 89.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 79.5 mtm180 -66.19 -36.2 82.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . 0.475 ' CZ ' ' HB1' ' A' 4520 ' ' ALA . 10.4 m-30 -70.09 -36.14 74.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.959 178.169 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -69.03 -29.32 67.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.89 175.503 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 63.6 tt0 -60.6 -47.2 87.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.918 -178.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.5 t -67.08 -41.21 86.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.094 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.44 ' HG2' HD12 ' A' 4535 ' ' ILE . 79.3 mt-30 -65.41 -41.1 93.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.48 ' HB2' HD12 ' A' 4562 ' ' LEU . 87.8 t80 -64.08 -39.26 93.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 -179.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 76.9 mt -61.29 -31.08 70.91 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -175.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 67.3 p -89.14 -38.65 14.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.143 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.0 -85.52 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.446 174.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.8 -149.78 7.36 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.683 HD22 HD22 ' A' 4525 ' ' LEU . 67.5 mt -104.87 135.45 46.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.778 0.323 . . . . 0.0 110.943 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . 0.44 HD12 ' HG2' ' A' 4528 ' ' GLN . 97.8 mt -93.66 133.87 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.113 -172.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 24.7 pt-20 -145.6 151.26 46.19 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.588 0.709 . . . . 0.0 110.942 178.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.5 ' O ' ' HB3' ' A' 4538 ' ' ASP . 42.9 Cg_endo -64.99 173.04 6.36 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.736 2.291 . . . . 0.0 112.369 174.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.5 ' HB3' ' O ' ' A' 4537 ' ' PRO . 50.2 t0 76.73 -55.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -175.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.484 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 80.9 p -68.22 159.34 80.86 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.533 0.682 . . . . 0.0 111.154 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.484 ' HD2' ' HB ' ' A' 4539 ' ' THR . 49.5 Cg_endo -68.28 -8.06 21.85 Favored 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.732 2.288 . . . . 0.0 112.292 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 175.09 -114.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.503 -175.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . 0.422 ' HB3' HG12 ' A' 4535 ' ' ILE . 34.8 ptt-85 -118.36 143.58 46.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.811 0.339 . . . . 0.0 110.843 -171.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 88.8 t -108.09 127.7 27.12 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.686 0.755 . . . . 0.0 111.099 176.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -52.04 143.46 40.75 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.719 2.28 . . . . 0.0 112.318 176.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.421 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.7 tp -56.54 -43.32 79.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 -177.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.43 -38.8 92.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 177.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -70.32 -33.72 71.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.83 -35.66 80.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 40.0 mt -65.68 -47.3 75.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -71.88 -25.71 62.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 177.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.2 ttm-85 -75.18 -24.67 57.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 178.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 92.94 11.49 58.82 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 172.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.407 HG23 HG13 ' A' 4554 ' ' VAL . 5.8 t -89.64 -21.94 22.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.865 0.364 . . . . 0.0 111.158 -176.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.407 HG13 HG23 ' A' 4553 ' ' THR . 33.0 m -129.2 156.06 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.061 174.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 58.1 p30 -103.7 175.79 5.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.857 175.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.28 -37.74 88.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.042 -177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 43.1 mmt180 -62.42 -41.31 98.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 -175.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 77.0 m -71.7 -40.48 69.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 177.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.421 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -65.13 -42.04 94.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.092 -171.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -65.36 -32.06 73.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.41 -35.17 78.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.84 176.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.645 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.8 mm? -70.88 -31.56 68.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 172.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -72.49 -22.58 61.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.855 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 62.9 t0 -103.8 74.6 1.24 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 178.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.8 m -67.02 -24.65 32.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.206 177.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -68.16 -17.0 69.55 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -175.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . 0.415 ' HB1' ' H ' ' A' 4403 ' ' GLN . . . -66.06 -28.01 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.705 0.288 . . . . 0.0 111.054 178.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -79.32 150.22 31.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -174.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 27.8 t -64.45 143.65 57.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.926 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 99.7 mttt -60.24 153.84 21.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 165.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 56.6 m-85 -130.33 -30.86 1.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -171.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 78.6 mt -104.22 135.02 46.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 -161.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.4 m -112.87 128.65 56.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.114 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.531 ' SG ' HD13 ' A' 4581 ' ' ILE . 88.6 m -84.74 163.22 47.48 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.62 0.724 . . . . 0.0 110.911 172.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 33.6 Cg_endo -64.64 -62.26 0.09 OUTLIER 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.73 2.287 . . . . 0.0 112.335 177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.441 ' O ' ' HB ' ' A' 4577 ' ' THR . 88.6 tttt -156.33 109.5 2.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 176.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' 4578 ' ' LYS . 11.2 t 175.67 -25.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.048 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' 4579 ' ' LEU . 88.1 tttt 172.99 -37.72 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.913 -171.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.51 ' HA ' ' H ' ' A' 4574 ' ' CYS . 11.1 mp 71.64 -58.33 0.58 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 173.22 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.81 93.49 3.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.531 HD13 ' SG ' ' A' 4574 ' ' CYS . 27.2 pt -131.32 160.15 42.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.153 -178.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 77.7 p -95.98 178.92 5.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 174.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.465 ' O ' ' HG ' ' A' 4587 ' ' LEU . 3.3 m-85 -59.42 -40.47 86.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 175.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -62.91 -40.08 96.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.946 -177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . 0.487 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 66.0 m-20 -67.66 -40.96 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' 4590 ' ' SER . . . -66.34 -38.63 88.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.039 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.8 mt -65.89 -30.11 70.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.917 -177.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.32 -29.36 69.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.836 174.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.8 mmm-85 -103.88 -6.96 20.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . 0.436 ' OG ' ' HB3' ' A' 4599 ' ' ARG . 35.3 t -74.08 123.07 23.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -178.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 82.0 mtp -101.72 136.9 40.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.935 -176.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 94.6 t -77.2 132.3 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -52.81 -55.88 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.905 -176.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -156.32 -56.98 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.877 177.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -171.98 -35.02 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.493 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.4 p -114.25 -4.71 13.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.816 0.341 . . . . 0.0 111.138 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -84.8 9.95 64.02 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 52.69 -164.89 0.07 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.864 0.364 . . . . 0.0 110.884 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.436 ' HB3' ' OG ' ' A' 4590 ' ' SER . 94.7 mtt-85 -81.24 141.31 34.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -172.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 36.1 mt -107.89 135.31 49.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 165.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 1.1 tt -80.88 117.29 21.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.991 -178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -71.07 133.07 46.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -147.97 154.09 39.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 178.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.521 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -125.42 25.04 7.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 72.6 -80.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.104 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 31.7 tt0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.937 179.176 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.2 mmm . . . . . 0 N--CA 1.458 -0.029 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.7 -92.95 0.29 Allowed Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 37.3 p-80 -147.86 -138.4 0.09 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.879 0.371 . . . . 0.0 110.884 -170.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 79.6 m80 -62.3 108.35 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.768 -169.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.547 ' O ' ' HB3' ' A' 4397 ' ' HIS . 32.9 m170 -138.32 130.09 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 170.585 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.605 ' O ' ' HB2' ' A' 4398 ' ' HIS . 32.3 p80 165.5 84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.883 -171.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . 0.605 ' HB2' ' O ' ' A' 4397 ' ' HIS . 70.3 t60 175.86 156.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.852 168.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4400 ' ' SER . 30.4 m170 -96.05 38.96 1.16 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . 0.439 ' HB3' ' O ' ' A' 4399 ' ' HIS . 83.7 p -176.4 169.75 2.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 168.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 64.8 t-80 -59.47 113.42 2.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 54.9 ttm -160.19 156.94 27.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.918 -173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.4 tt0 -138.69 104.57 5.14 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.961 174.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 82.8 mt -140.03 148.96 42.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.98 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -131.19 16.89 5.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.143 179.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.7 p -167.41 167.79 13.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -177.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -135.04 102.11 5.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.935 177.138 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.0 t -103.48 121.05 42.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.488 ' HB2' ' CD ' ' A' 4410 ' ' PRO . 1.6 p-10 -154.32 177.02 2.16 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.619 0.723 . . . . 0.0 110.803 -178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.488 ' CD ' ' HB2' ' A' 4409 ' ' ASP . 36.9 Cg_exo -63.91 -179.54 0.79 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.633 2.222 . . . . 0.0 112.29 178.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 81.9 p -74.5 -18.13 60.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.224 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -101.45 111.73 24.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.883 173.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -110.24 -40.23 4.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -174.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 67.6 p 44.87 -129.87 0.99 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 74.95 -151.06 41.96 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.475 172.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -57.99 156.02 30.84 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.705 2.27 . . . . 0.0 112.359 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.422 HG11 ' HB2' ' A' 4601 ' ' LEU . 71.5 t -65.27 125.76 22.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.133 177.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.09 -38.66 11.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.119 -174.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.39 -172.21 25.24 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.499 -173.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.1 mm -109.13 139.6 31.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.356 . . . . 0.0 111.083 -173.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.429 HD23 ' C ' ' A' 4421 ' ' LEU . 6.6 tt -122.64 123.97 42.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.854 173.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.479 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.5 t0 -82.7 110.27 17.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.936 176.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 41.2 m -57.48 -29.28 64.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -66.4 -24.85 66.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.905 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 71.4 p -133.82 -6.26 2.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.203 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.8 mp 54.87 35.0 23.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.942 -174.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -94.35 120.65 34.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 60.3 pttt -79.79 131.63 35.95 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 172.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.52 160.0 41.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.127 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 83.2 p -68.73 165.02 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 175.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.6 mm -61.64 -42.15 93.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.162 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 44.6 m -65.16 -42.48 93.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.117 177.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.8 tp10 -65.1 -38.03 89.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.08 -42.4 89.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.087 176.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 72.9 mtm -66.55 -30.1 70.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.51 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -58.09 -39.7 79.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -166.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.51 ' HB3' ' O ' ' A' 4436 ' ' HIS . 40.3 ptt180 175.24 30.87 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 174.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 48.9 t30 -84.98 -69.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.786 -173.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.9 pp -166.76 -14.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.839 -175.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 14.8 m -105.5 177.49 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.114 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 2.1 p-10 -128.58 -179.21 4.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.865 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -57.02 -40.75 77.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 26.4 mm -68.09 -42.0 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.154 -175.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -63.54 -44.58 93.8 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.027 176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.82 -39.68 96.76 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.514 175.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . 0.412 ' HG3' ' HD2' ' A' 4485 ' ' ARG . 19.0 tm0? -64.08 -41.23 97.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 110.924 -178.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -66.08 -40.52 90.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.833 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.3 mt -69.44 -41.45 76.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.6 mt -66.83 -37.96 85.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.941 177.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.47 -41.0 98.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.901 175.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.93 -39.56 93.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.095 -178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -66.41 -40.31 89.51 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.936 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.79 -37.08 86.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.102 175.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 50.5 m -67.82 -41.33 83.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.889 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 71.6 p -77.61 -25.86 50.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 172.5 -115.11 0.55 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.17 172.16 30.38 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.486 176.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.7 mm -73.55 125.02 31.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.321 . . . . 0.0 111.087 173.1 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.5 mm -107.68 115.13 48.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.05 -165.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.428 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.1 t0 -95.84 120.6 62.9 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.631 0.729 . . . . 0.0 110.868 177.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 53.4 Cg_endo -59.9 112.53 1.31 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.563 2.175 . . . . 0.0 112.339 171.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.0 t 175.1 -47.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 -166.599 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.9 t -175.2 25.37 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.17 178.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . 0.526 ' H ' HD21 ' A' 4598 ' ' LEU . . . 80.26 40.48 13.46 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.441 -177.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.428 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 59.1 mm-40 -71.14 144.39 50.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 0.0 110.864 -176.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -134.89 113.3 11.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.829 177.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.06 154.34 80.15 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.591 0.71 . . . . 0.0 110.933 179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -63.07 159.96 36.35 Favored 'Trans proline' 0 N--CA 1.465 -0.187 0 C-N-CA 122.685 2.256 . . . . 0.0 112.351 172.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.5 t -64.08 -40.69 89.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.11 -178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 82.6 p -64.05 -38.98 93.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.157 -177.403 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.8 t70 -73.82 -37.11 64.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.921 177.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -63.66 -34.9 78.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 50.1 t -69.37 -41.47 80.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.156 171.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 89.9 m-20 -72.73 -31.7 65.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.832 -174.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.469 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -159.93 55.43 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.885 -177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.08 -133.74 1.77 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.554 -179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.614 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.08 21.8 4.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 -173.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.5 t -104.41 142.54 17.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.148 174.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -83.84 134.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.811 176.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 64.8 pttt -57.26 -32.25 66.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 15.1 pt -71.87 -9.98 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.171 -176.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -100.33 -4.88 28.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 -177.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.578 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.81 -50.05 81.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -66.94 -43.5 83.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.879 -172.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . 0.412 ' HD2' ' HG3' ' A' 4446 ' ' GLN . 17.4 ptp180 -67.54 -34.94 78.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -82.25 -20.83 9.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.176 177.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.578 ' HB2' ' O ' ' A' 4483 ' ' VAL . 2.7 t30 -63.14 -20.19 65.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.912 -160.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.443 HD21 HD11 ' A' 4516 ' ' LEU . 20.7 tp -55.22 -31.47 61.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.969 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.41 79.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 172.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . 0.453 ' O ' ' HB3' ' A' 4493 ' ' PHE . 2.7 mp0 -66.62 -35.42 80.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -178.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 30.2 ttpt -63.45 -34.89 78.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 178.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.24 -31.59 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . 0.453 ' HB3' ' O ' ' A' 4490 ' ' GLN . 13.2 t80 -61.04 -40.13 92.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 75.1 m -65.33 -12.85 56.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.866 -177.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 124.95 -3.98 8.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.52 177.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 11.0 t80 41.73 58.08 2.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.745 0.307 . . . . 0.0 110.825 -176.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.1 pt-20 -140.26 155.4 46.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 -179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 62.7 m-20 -89.27 149.67 43.31 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.51 0.672 . . . . 0.0 110.935 175.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 84.7 Cg_endo -75.04 63.62 6.04 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.691 2.261 . . . . 0.0 112.354 177.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.404 ' HG3' HG23 ' A' 4501 ' ' THR . 41.3 ptt180 175.0 -34.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.849 -168.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . 0.404 HG23 ' HG3' ' A' 4500 ' ' ARG . 54.4 p -98.59 -41.38 7.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.174 175.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.7 mmmt 48.0 35.45 5.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 178.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.461 HG23 ' SD ' ' A' 4505 ' ' MET . 5.5 t -101.86 -22.28 14.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.194 -176.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.8 mttt 66.6 126.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 177.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.461 ' SD ' HG23 ' A' 4503 ' ' THR . 2.1 mpp? -118.42 140.3 50.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 173.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.6 p -71.88 165.62 23.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.849 167.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.32 -39.45 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.094 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.528 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -70.1 -40.67 74.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.012 176.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -65.22 -33.08 75.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.901 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.55 -33.18 71.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.048 -175.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.61 -42.69 82.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.82 178.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -74.05 -28.7 61.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -177.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -94.0 -9.91 35.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 -174.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 86.53 12.53 69.47 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.569 174.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -76.49 -49.22 17.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.798 0.332 . . . . 0.0 110.934 178.402 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.443 HD11 HD21 ' A' 4488 ' ' LEU . 10.8 tp -115.96 148.93 39.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.937 -174.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 40.6 p90 -90.15 156.74 18.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.961 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -59.79 -40.17 87.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.003 -163.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.29 -37.35 80.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -174.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.03 -48.46 14.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.094 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.401 ' O ' ' HG ' ' A' 4525 ' ' LEU . . . -62.94 -43.6 98.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.518 -177.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -62.92 -38.72 92.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 110.839 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.9 ttm180 -64.93 -41.69 95.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.2 m-30 -70.93 -38.1 72.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -177.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.401 ' HG ' ' O ' ' A' 4521 ' ' GLY . 94.3 mt -69.65 -36.76 76.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 -175.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -66.39 -38.29 87.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -178.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 74.1 t -64.16 -40.24 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.107 173.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.452 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 86.3 mt-30 -65.44 -36.45 83.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 174.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.6 t80 -62.8 -40.28 96.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.925 177.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 95.7 mt -65.1 -31.6 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.934 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.3 p -82.44 -6.53 59.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 178.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 91.92 38.73 5.68 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.477 171.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 153.45 153.08 6.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.452 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 68.6 mt -84.47 117.9 23.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.723 0.297 . . . . 0.0 110.926 -174.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.7 mt -74.64 131.73 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -178.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -145.13 157.1 54.24 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.596 0.712 . . . . 0.0 110.901 -177.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -79.09 -22.31 8.64 Favored 'Trans proline' 0 C--N 1.343 0.243 0 C-N-CA 122.641 2.227 . . . . 0.0 112.302 -178.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 61.1 t0 -74.04 -70.05 0.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.803 -178.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 97.6 m -63.49 134.34 95.83 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.6 0.714 . . . . 0.0 111.152 170.004 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -66.24 79.95 0.3 Allowed 'Trans proline' 0 N--CA 1.465 -0.17 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 124.98 -113.33 1.92 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.463 -176.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -141.87 148.77 39.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.949 0.404 . . . . 0.0 110.836 -172.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 96.5 t -113.97 128.31 25.91 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.628 0.728 . . . . 0.0 111.123 177.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.16 145.43 34.49 Favored 'Trans proline' 0 C--O 1.233 0.245 0 C-N-CA 122.765 2.31 . . . . 0.0 112.329 173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 57.9 tp -57.93 -44.02 86.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.817 -174.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -65.06 -39.22 92.95 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.844 178.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -70.83 -33.21 70.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.57 -34.59 77.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.17 177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.415 HD23 HG23 ' A' 4554 ' ' VAL . 30.8 mt -64.92 -46.61 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.907 -178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.5 -26.29 61.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.983 176.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 47.4 ttm-85 -76.09 -24.6 55.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.904 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 103.39 -27.0 21.78 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.533 170.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.7 HG23 HG13 ' A' 4554 ' ' VAL . 8.9 t -48.71 -30.53 5.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.744 0.307 . . . . 0.0 111.073 -176.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.7 HG13 HG23 ' A' 4553 ' ' THR . 22.7 m -125.85 151.65 32.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.177 177.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.5 p30 -102.49 179.48 4.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.826 170.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.26 -40.96 97.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.054 -179.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 29.5 ttm180 -63.56 -40.3 96.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 -174.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 46.6 m -73.11 -38.97 66.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.149 176.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.19 -40.45 94.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 -172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -66.19 -28.53 68.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.929 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -67.08 -34.09 76.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 173.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.441 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.2 mm? -73.29 -28.68 62.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.953 173.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -76.42 -16.2 59.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 174.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.0 t0 -124.64 61.53 1.15 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -61.51 -23.02 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.066 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.95 -15.26 62.34 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.437 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -62.53 -29.48 70.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.755 0.312 . . . . 0.0 111.077 176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.7 t80 -74.69 144.08 43.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.942 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 43.4 t -59.93 131.6 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -174.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 60.4 pttt -96.88 151.89 19.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.607 ' CD2' ' O ' ' A' 4571 ' ' TYR . 80.3 t80 -177.22 54.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -176.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' 4572 ' ' LEU . 28.4 mt -111.24 139.15 46.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 158.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 99.5 m -95.51 138.15 33.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.078 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.587 ' HB3' ' HD3' ' A' 4575 ' ' PRO . 20.2 t -162.35 -48.92 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.594 0.711 . . . . 0.0 110.895 175.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.587 ' HD3' ' HB3' ' A' 4574 ' ' CYS . 35.5 Cg_endo -77.96 155.36 30.16 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.724 2.283 . . . . 0.0 112.345 173.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.1 mttt -96.27 -9.06 31.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -174.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 81.2 p -112.51 -25.41 9.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.124 -173.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' 4580 ' ' LYS . 75.7 mmtt -110.11 -26.49 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.926 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 9.8 mp 53.46 -76.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -171.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.54 ' N ' ' O ' ' A' 4578 ' ' LYS . 9.8 mtmp? -71.55 110.67 6.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -172.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 42.6 pt -125.6 159.91 32.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.147 170.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 85.0 p -69.99 165.93 20.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.889 178.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 17.9 t80 -63.11 -40.26 97.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 176.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -64.93 -39.82 94.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.915 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -65.97 -37.4 85.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.889 173.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.12 -35.96 82.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.104 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.7 mt -66.24 -32.59 74.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.884 178.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -68.27 -29.26 68.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.845 175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 51.1 mmm-85 -102.44 -5.6 23.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.833 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.5 p -74.45 154.12 38.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 177.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 64.6 mtm -128.26 130.85 48.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.871 178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 65.5 t -92.53 127.74 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -68.08 -22.32 64.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.807 -173.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 97.6 mt-10 65.15 42.73 3.93 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 175.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -165.27 -84.89 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.422 176.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.2 p -132.2 -5.41 3.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.382 . . . . 0.0 111.144 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -88.82 1.73 83.71 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.518 -177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.526 HD21 ' H ' ' A' 4464 ' ' GLY . 0.3 OUTLIER 48.91 -158.1 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 110.951 -179.091 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.407 ' H ' ' HB3' ' A' 4598 ' ' LEU . 63.4 ttm-85 -78.88 129.1 34.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 177.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 61.2 mt -112.5 139.86 47.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.422 ' HB2' HG11 ' A' 4417 ' ' VAL . 66.2 tp -86.03 121.18 28.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.863 178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -72.61 124.78 25.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . 0.461 ' HA ' ' HA ' ' A' 4574 ' ' CYS . . . -153.04 148.39 26.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.147 171.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.555 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -126.76 21.04 7.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.065 178.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.555 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 74.6 -81.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.105 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . 0.55 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.9 tt0 . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.896 -177.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.701 ' HA ' ' NH2' ' A' 4447 ' ' ARG . 99.3 mmm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.776 0.322 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -70.07 146.59 43.2 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.478 166.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4395 ' ' HIS . 95.3 m-70 -113.61 120.69 41.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.802 0.334 . . . . 0.0 110.868 178.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.506 ' HB3' ' O ' ' A' 4394 ' ' HIS . 53.4 p-80 177.84 172.77 0.6 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.787 163.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 84.0 t60 -96.18 113.94 25.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.823 171.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.44 ' NE2' ' HB3' ' A' 4399 ' ' HIS . 80.9 t60 -175.69 142.27 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -140.53 88.14 2.18 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 171.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.44 ' HB3' ' NE2' ' A' 4397 ' ' HIS . 66.3 t-80 -172.7 121.61 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 40.8 t -164.98 140.45 5.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.825 176.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 85.8 t60 -172.19 138.66 0.99 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 172.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 28.2 ptm -176.6 168.64 2.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 176.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.6 pt20 -148.31 153.55 38.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 174.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -153.13 167.69 28.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.949 -178.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.62 -66.87 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 9.2 t 64.07 -163.27 0.27 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -175.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -154.5 -45.3 0.09 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.96 173.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 8.9 t 64.58 -165.02 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 175.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 53.7 t0 -158.58 65.1 2.92 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -76.6 151.69 32.76 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.737 2.291 . . . . 0.0 112.386 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.8 p -112.66 -72.01 0.73 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.19 173.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4413 ' ' GLU . 88.6 tt0 -156.13 -65.82 0.11 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 168.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . 0.444 ' O ' ' O ' ' A' 4412 ' ' GLU . 26.3 tp10 55.09 114.71 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.956 179.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -113.58 92.68 4.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.148 -169.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.52 175.63 38.2 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.566 177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -71.93 170.45 18.83 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.665 2.244 . . . . 0.0 112.382 178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.466 ' HB ' HD22 ' A' 4448 ' ' LEU . 95.5 t -69.97 123.88 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 171.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . 0.41 ' HB2' HD22 ' A' 4598 ' ' LEU . . . -90.03 -37.69 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.015 -167.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -170.33 -177.21 40.36 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.462 -170.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.3 mm -111.66 138.5 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.848 0.356 . . . . 0.0 111.168 -176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.859 ' HB3' HD11 ' A' 4600 ' ' LEU . 3.2 tt -126.17 129.54 49.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.956 178.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.442 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.8 t0 -82.2 108.69 15.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 90.2 m -59.9 -28.07 67.26 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.106 -177.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -47.59 -46.66 28.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.827 -177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 66.9 p -134.99 6.7 3.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.2 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' 4422 ' ' ASP . 8.4 mp 57.58 81.29 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.004 -176.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -122.06 104.67 9.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.955 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -80.39 119.57 23.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -177.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -131.42 158.77 43.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 173.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -69.35 166.98 17.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.46 -41.55 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 176.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 97.5 m -65.94 -42.6 89.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 176.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -66.52 -36.09 81.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.04 -45.29 81.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.123 -175.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 21.9 ptp -71.66 -24.84 61.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 179.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.534 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -60.22 -38.48 83.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.818 -172.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.534 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.9 ptp180 169.65 38.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.802 174.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.421 ' O ' ' HB3' ' A' 4439 ' ' LEU . 46.1 t30 -93.49 -52.31 4.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 3.5 pp -179.9 -26.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 173.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.0 m -86.85 174.93 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.127 -179.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 42.0 p30 -124.09 177.44 5.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 33.3 p-10 -57.07 -35.04 68.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . 0.518 HD12 ' O ' ' A' 4392 ' ' MET . 37.3 mm -65.47 -45.2 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.6 m -65.36 -43.23 91.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.132 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.0 -37.52 95.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.837 -0.697 . . . . 0.0 112.444 171.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 22.7 tm0? -62.51 -34.68 77.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.823 0.344 . . . . 0.0 110.927 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . 0.701 ' NH2' ' HA ' ' A' 4392 ' ' MET . 43.2 mmt180 -63.51 -40.13 96.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . 0.466 HD22 ' HB ' ' A' 4417 ' ' VAL . 94.8 mt -71.8 -40.0 69.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 176.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 83.8 mt -66.65 -35.54 80.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.935 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -61.69 -39.48 91.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.803 178.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.78 -36.87 85.7 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -66.72 -40.77 88.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 176.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.35 -34.91 79.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.111 178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 98.6 m -64.92 -39.64 93.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.4 p -78.67 -21.17 48.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 167.31 -116.08 0.66 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.507 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -95.52 174.77 32.39 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.515 173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.23 131.88 32.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.747 0.308 . . . . 0.0 111.179 174.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' 4465 ' ' GLU . 96.1 mt -108.92 117.53 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -168.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 10.2 t0 -81.7 129.38 65.59 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 110.893 171.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -70.16 -9.75 26.67 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.642 2.228 . . . . 0.0 112.409 -177.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 36.2 m -46.35 -38.72 9.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.0 t -176.07 37.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.133 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 68.32 39.74 87.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 178.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' 4459 ' ' ILE . 98.3 mt-10 -72.5 152.57 41.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 0.0 110.854 177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -132.75 115.35 15.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.807 -178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -136.74 147.75 60.63 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.684 0.754 . . . . 0.0 110.849 173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -51.93 158.16 5.07 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.678 2.252 . . . . 0.0 112.285 174.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 69.9 t -62.58 -44.2 99.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.162 -173.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.6 m -66.51 -37.0 84.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.17 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -69.69 -32.57 71.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -59.54 -31.39 69.37 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.154 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.6 t -64.53 -39.49 85.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 172.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -73.78 -32.83 63.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -177.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.2 tttt -160.01 60.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.931 -175.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.34 -116.35 0.55 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.505 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -156.27 16.35 0.34 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.927 -175.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 96.7 t -100.56 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.094 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.7 t0 -89.71 158.53 17.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.86 177.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.39 -35.82 76.63 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -178.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -74.6 -14.03 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.126 -175.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 87.8 mmm -100.22 -6.84 25.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.844 -174.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 76.7 t -65.89 -51.71 57.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.132 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 -34.93 79.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.857 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 59.0 ttm-85 -64.99 -42.16 94.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.913 176.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.425 ' O ' HG22 ' A' 4486 ' ' ILE . 96.0 mt -84.72 -15.14 11.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.175 -178.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -61.19 -31.76 71.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.863 -165.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.467 HD12 ' HE3' ' A' 4491 ' ' LYS . 46.8 tp -62.18 -36.87 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.036 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . 0.46 ' O ' ' HB3' ' A' 4492 ' ' ALA . . . -68.91 -34.97 76.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -66.16 -36.91 84.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 176.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.467 ' HE3' HD12 ' A' 4488 ' ' LEU . 49.2 mtmt -65.18 -30.06 70.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 172.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . 0.46 ' HB3' ' O ' ' A' 4489 ' ' ALA . . . -63.3 -22.82 67.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 177.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . 0.4 ' O ' ' HB2' ' A' 4494 ' ' CYS . 93.4 t80 -70.6 -46.57 63.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 170.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . 0.4 ' HB2' ' O ' ' A' 4493 ' ' PHE . 45.7 t -175.26 85.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.946 178.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.498 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -164.1 -145.35 4.35 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.575 -178.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' 4495 ' ' GLY . 30.6 m-85 76.6 23.56 1.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.85 0.357 . . . . 0.0 110.91 -176.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.14 116.71 7.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.818 175.224 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -117.25 156.64 48.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.652 0.739 . . . . 0.0 110.803 -177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.489 ' O ' ' HB2' ' A' 4500 ' ' ARG . 38.9 Cg_endo -64.96 157.71 55.44 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.709 2.273 . . . . 0.0 112.398 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.489 ' HB2' ' O ' ' A' 4499 ' ' PRO . 93.1 mtt-85 77.23 -2.73 2.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 -176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' 4502 ' ' LYS . 5.8 p -137.11 -43.46 0.57 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 175.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . 0.447 ' C ' ' O ' ' A' 4501 ' ' THR . 32.1 mmmt 35.83 77.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.845 176.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.0 t -157.73 -175.58 5.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 -177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.65 153.6 18.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 174.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.532 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 19.1 ptp -161.7 160.31 28.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.939 -170.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.6 t -91.55 152.76 20.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.791 171.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.23 76.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.095 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -65.57 -38.35 89.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -67.41 -34.6 77.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.98 -33.04 73.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.072 -176.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.14 -38.5 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.945 174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.7 mttt -66.71 -25.9 66.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.899 178.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt -109.8 -178.2 3.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.996 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -86.82 34.35 3.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.452 175.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.532 ' CE3' ' SD ' ' A' 4505 ' ' MET . 43.6 m0 -93.73 -30.07 15.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.858 0.361 . . . . 0.0 110.918 -174.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 24.0 tp -153.0 154.92 35.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 178.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 36.3 p90 -101.91 156.17 17.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.944 -173.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 85.9 t80 -59.69 -42.28 92.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 -164.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -60.23 -36.51 77.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.888 -170.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -84.4 -48.62 9.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.153 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.42 -43.98 95.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.426 -170.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' 4526 ' ' GLU . 69.6 tp60 -64.38 -37.24 86.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.848 0.356 . . . . 0.0 110.888 -176.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.7 ttp-105 -60.14 -38.84 84.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -73.37 -34.62 65.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 178.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.598 ' HB3' HD11 ' A' 4562 ' ' LEU . 1.4 mp -68.31 -33.77 74.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.905 175.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' 4522 ' ' GLN . 72.8 mm-40 -64.69 -44.08 91.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 -179.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 68.3 t -69.08 -42.69 82.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.112 -177.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -66.48 -34.96 79.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.95 179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.417 ' HB2' HD12 ' A' 4562 ' ' LEU . 88.3 t80 -63.64 -40.09 95.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.904 178.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.8 mt -61.83 -27.76 69.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 82.3 p -85.42 -51.43 6.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -164.96 -86.82 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.454 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -120.84 -161.25 11.36 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 70.6 mt -101.73 130.51 48.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.75 0.31 . . . . 0.0 110.964 -179.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 97.1 mt -81.76 128.33 38.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.191 -173.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.461 ' HB3' ' HD2' ' A' 4537 ' ' PRO . 39.9 mt-10 -143.06 160.55 52.21 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.623 0.725 . . . . 0.0 110.884 -170.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.509 ' O ' ' HB2' ' A' 4538 ' ' ASP . 73.1 Cg_endo -71.29 172.95 13.06 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.66 2.24 . . . . 0.0 112.353 174.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' 4537 ' ' PRO . 69.0 m-20 71.88 -64.66 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.229 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.409 ' OG1' ' HD2' ' A' 4540 ' ' PRO . 12.1 t -55.94 146.84 46.61 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.586 0.707 . . . . 0.0 111.113 172.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.409 ' HD2' ' OG1' ' A' 4539 ' ' THR . 25.4 Cg_endo -60.88 -24.72 79.88 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.14 -95.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.513 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.2 ptt-85 -126.76 144.57 50.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.866 0.365 . . . . 0.0 110.921 -172.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 90.4 t -103.67 128.27 27.72 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.207 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.16 146.78 37.43 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.729 2.286 . . . . 0.0 112.333 173.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.3 tp -57.7 -44.23 85.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.969 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -64.5 -39.13 93.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.897 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -70.28 -33.57 71.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 177.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.93 -35.09 79.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.037 176.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 35.0 mt -65.67 -47.61 74.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.931 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.6 pt20 -70.97 -25.07 62.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.3 ttm-85 -75.98 -24.49 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.79 -11.42 68.1 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.848 -0.691 . . . . 0.0 112.496 174.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.471 HG23 HG13 ' A' 4554 ' ' VAL . 8.8 t -64.23 -27.13 68.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.812 0.339 . . . . 0.0 111.185 -176.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.471 HG13 HG23 ' A' 4553 ' ' THR . 35.6 m -124.87 150.89 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 173.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.12 179.02 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 170.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.66 -39.49 91.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.181 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -62.95 -41.09 99.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -174.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 47.5 m -73.33 -40.52 64.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.119 177.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.8 -40.64 92.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.07 -171.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -65.03 -30.77 71.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.935 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 97.3 mttt -66.02 -35.18 79.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.822 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.598 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.4 mm? -69.32 -35.14 75.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 173.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.38 -33.56 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.6 t0 -104.52 75.17 1.21 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.786 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.5 m -62.32 -24.56 35.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.052 -176.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.83 -20.22 79.71 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -178.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.78 -33.82 71.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.739 0.304 . . . . 0.0 111.07 -178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 70.9 t80 -75.7 142.46 42.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.925 -177.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.7 t -59.15 143.99 47.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.843 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.476 ' HD2' ' N ' ' A' 4570 ' ' LYS . 13.4 mptt -68.69 161.22 28.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.905 -175.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 50.8 p90 -157.15 10.36 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.948 -169.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' 4573 ' ' THR . 1.9 tm? -106.8 129.11 54.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . 0.477 ' N ' HD13 ' A' 4572 ' ' LEU . 89.8 m -81.16 118.26 22.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 -175.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.502 ' HB3' ' H ' ' A' 4579 ' ' LEU . 48.7 t -69.09 127.9 92.86 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.495 0.664 . . . . 0.0 110.829 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -75.54 73.4 4.63 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.666 2.244 . . . . 0.0 112.347 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -170.95 -56.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 50.6 p -131.58 13.35 4.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 173.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.5 mttt 61.12 61.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 172.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.502 ' H ' ' HB3' ' A' 4574 ' ' CYS . 39.5 mt -117.65 169.06 9.87 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.969 -176.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -81.04 105.44 12.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 -173.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.8 pt -123.8 161.93 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 168.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 84.0 p -74.8 149.36 39.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -178.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.4 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.8 t80 -62.7 -37.28 85.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.969 177.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 64.0 tttm -64.17 -41.47 97.11 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.93 -178.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -66.68 -39.75 88.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.811 176.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.29 -40.15 95.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.081 175.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -71.07 -39.55 72.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.964 179.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -70.46 -28.65 65.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.894 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.8 mmt-85 -101.99 1.0 36.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.987 -173.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -71.25 166.1 22.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.4 ttm -94.23 137.35 33.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 177.049 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 99.8 t -97.83 120.5 47.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 172.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -77.59 -24.59 49.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 176.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 64.61 46.99 3.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -105.35 -85.39 1.83 Allowed Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.569 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.6 p -136.72 57.1 1.78 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.932 0.396 . . . . 0.0 111.192 -178.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 65.89 41.41 95.48 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.454 178.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.41 HD22 ' HB2' ' A' 4418 ' ' ALA . 96.0 mt -115.96 123.06 47.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.761 0.315 . . . . 0.0 110.869 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 29.2 mmt85 -82.65 127.62 33.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.829 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . 0.859 HD11 ' HB3' ' A' 4421 ' ' LEU . 3.3 tm? -110.55 125.98 53.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.933 -176.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.46 ' N ' HD13 ' A' 4600 ' ' LEU . 60.8 tp -102.39 122.06 43.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.942 -170.74 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -77.66 149.35 34.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 -175.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.46 161.03 40.68 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.104 172.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -123.95 14.34 9.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.034 -177.378 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.45 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 53.93 43.98 30.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.041 173.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.3 mm-40 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.944 177.761 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.426 ' HA ' HG12 ' A' 4483 ' ' VAL . 72.2 mtp . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.844 0.355 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 53.61 -110.58 1.47 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.479 169.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -127.07 17.51 7.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.968 0.413 . . . . 0.0 110.833 175.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.555 ' O ' ' C ' ' A' 4396 ' ' HIS . 97.5 m-70 -105.91 -148.68 0.41 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.941 -159.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.555 ' C ' ' O ' ' A' 4395 ' ' HIS . 61.0 t-80 -29.13 126.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.828 -168.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 97.4 m-70 -118.35 -122.74 0.29 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -84.25 96.57 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 81.9 t60 -152.43 124.35 7.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.805 -177.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 89.5 p -124.71 166.97 15.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.9 p80 -62.22 161.89 10.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -176.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 98.6 mmm -96.92 -127.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.863 179.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -72.16 166.6 22.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.984 -178.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 11.0 mp -95.01 179.23 5.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 176.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 56.93 53.69 7.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 -178.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 13.3 t -90.53 -160.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.805 -177.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.2 m95 -91.01 129.76 36.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.869 -177.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 89.5 p -164.6 163.08 21.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.799 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -148.97 104.7 3.38 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.601 0.715 . . . . 0.0 110.872 -178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -53.95 120.12 7.41 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.74 2.293 . . . . 0.0 112.279 177.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 10.7 t -170.65 148.2 2.97 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.12 -177.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -62.16 -55.91 23.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.848 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 28.8 tt0 63.52 109.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.834 172.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.4 p -85.37 172.26 11.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.068 174.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -165.12 -156.66 9.22 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.496 -173.588 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -76.16 -177.02 3.37 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.669 2.246 . . . . 0.0 112.268 -176.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.413 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 74.4 t -50.98 126.05 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.107 -179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.42 -37.04 16.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.085 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -161.13 -171.76 27.56 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.468 -178.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 40.2 mm -109.62 140.33 28.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.812 0.339 . . . . 0.0 111.098 -175.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.8 tt -125.01 128.53 48.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.947 175.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 67.6 t0 -80.48 110.16 15.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 171.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 98.3 m -67.1 -24.41 65.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.204 -171.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 -49.12 -46.36 44.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -178.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 37.8 p -138.98 17.84 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.147 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 5.0 mp 55.42 61.81 2.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.959 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -102.18 115.44 30.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 177.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -80.21 123.62 28.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.0 m -134.42 161.99 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.159 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.7 p -74.52 171.14 14.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 177.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.2 mm -61.71 -43.16 96.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.172 177.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 42.4 m -67.37 -41.36 85.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.1 178.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -65.95 -39.3 90.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.911 -176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.428 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -66.18 -40.56 90.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.068 176.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 65.4 ttp -66.18 -41.08 90.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.919 177.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.6 t60 -71.03 -35.31 71.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.925 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.585 ' O ' ' HB2' ' A' 4438 ' ' ASN . 80.0 ttt180 -70.33 -73.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.846 -175.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.585 ' HB2' ' O ' ' A' 4437 ' ' ARG . 12.9 t30 166.97 24.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.816 176.507 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.428 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 93.4 mt -101.44 -37.67 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.963 -166.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 22.9 m -136.99 162.92 33.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 -177.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.2 t0 -90.57 169.74 10.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.4 t30 -60.73 -42.13 96.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 176.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.9 mm -68.63 -40.52 81.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.172 178.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 74.1 m -63.43 -42.29 98.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.268 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.99 -39.39 97.23 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -62.7 -44.57 95.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.763 0.316 . . . . 0.0 110.878 -178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 34.4 mmt180 -65.69 -35.74 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -175.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 84.2 mt -66.56 -39.9 88.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.91 -39.32 83.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.47 -37.97 89.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 175.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.5 87.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.113 179.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -69.12 -35.5 76.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 172.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.99 79.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 99.0 m -61.51 -23.67 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 177.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 69.6 p -101.61 30.85 4.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 175.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.72 -122.8 7.69 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.459 177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . 0.44 ' H ' HH11 ' A' 4466 ' ' ARG . . . -80.69 169.55 52.38 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.487 -178.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.1 mm -72.28 134.62 29.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.77 0.319 . . . . 0.0 111.129 176.026 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.7 mt -102.61 121.74 54.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 -170.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.407 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -85.16 121.19 74.0 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.604 0.716 . . . . 0.0 110.777 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -61.09 108.79 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 92.7 p 175.08 -47.53 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -170.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -174.6 25.04 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.195 174.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.27 30.35 25.37 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.391 178.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.407 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 55.7 mt-10 -70.61 138.18 50.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -177.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . 0.44 HH11 ' H ' ' A' 4457 ' ' GLY . 58.6 ttm-85 -111.41 123.36 50.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 -169.418 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -134.78 130.38 19.66 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.577 0.703 . . . . 0.0 110.854 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.21 149.45 16.24 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.644 2.23 . . . . 0.0 112.364 168.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 55.3 t -50.18 -45.66 24.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.061 -173.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 72.2 p -66.57 -37.13 84.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -71.97 -34.39 68.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -65.09 -34.75 79.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.116 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 53.5 t -70.15 -40.45 78.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.056 171.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -71.81 -30.09 65.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.954 -173.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.52 54.61 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.79 -135.21 1.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.544 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.541 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -130.43 30.96 4.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.898 0.38 . . . . 0.0 111.053 -173.81 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 39.0 t -113.93 143.8 22.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 175.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 8.7 t70 -90.84 154.29 19.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 -179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 58.7 mtmt -59.74 -33.47 71.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.0 pt -71.14 -12.32 15.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.106 -176.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 65.7 mtt -101.73 -2.64 29.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.942 -175.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.426 HG12 ' HA ' ' A' 4392 ' ' MET . 67.4 t -62.58 -50.62 79.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.085 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -66.72 -44.94 80.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.828 -173.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.4 ptp180 -67.87 -34.5 76.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -176.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.6 mt -83.07 -26.9 7.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 -177.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -61.17 -31.51 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -168.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.611 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.5 tp -63.5 -37.79 88.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 177.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.39 -36.52 74.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 27.9 tt0 -66.83 -42.99 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' 4488 ' ' LEU . 8.6 ptpt -69.94 -26.38 64.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.984 179.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.33 -30.35 71.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.092 176.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.1 t80 -70.08 -46.6 64.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 174.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 34.8 t -154.82 87.17 1.14 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 177.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.485 ' O ' ' HB2' ' A' 4496 ' ' PHE . . . -178.14 -151.25 9.22 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.455 -174.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.485 ' HB2' ' O ' ' A' 4495 ' ' GLY . 47.9 m-85 64.91 -67.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 110.873 -173.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' 4495 ' ' GLY . 25.9 mt-10 -47.95 133.93 14.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.824 -178.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.93 153.35 39.93 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.553 0.692 . . . . 0.0 110.895 -177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -73.27 76.66 2.61 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.75 2.3 . . . . 0.0 112.309 178.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.6 ptm180 -165.13 -53.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.977 -173.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 68.8 p -118.28 -34.29 4.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.118 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.2 mmmt 45.08 79.62 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -178.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 7.7 t -73.74 -11.71 60.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.197 -171.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.7 mttt 61.66 66.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -120.58 175.3 6.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 -175.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . 0.426 ' H ' ' HB2' ' A' 4509 ' ' GLN . 54.5 p -113.14 172.71 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.857 -178.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.442 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -61.59 -36.25 80.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.146 168.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.45 -37.76 85.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.426 ' HB2' ' H ' ' A' 4506 ' ' SER . 62.3 mt-30 -68.98 -31.1 69.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 172.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.01 -32.05 70.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.038 175.188 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -63.89 -24.74 67.86 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 178.243 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . 0.686 ' O ' ' CB ' ' A' 4513 ' ' LYS . 73.5 mmtt -57.82 -17.83 18.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 -173.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.686 ' CB ' ' O ' ' A' 4512 ' ' LYS . 81.5 tttt 103.19 102.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.867 175.356 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 142.17 -5.25 2.15 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.387 -176.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 97.2 m95 -131.27 -55.22 1.03 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.715 0.293 . . . . 0.0 110.856 176.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 54.9 tp -145.21 147.54 32.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.91 -174.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 31.9 p90 -88.99 161.84 16.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.864 -171.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 82.3 t80 -57.24 -43.26 82.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.925 -166.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.74 -39.43 94.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.885 -166.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.88 -50.55 9.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.091 -176.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.67 -38.99 96.36 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.494 -176.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -61.41 -38.69 88.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 110.905 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -68.35 -39.91 81.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 20.7 m-30 -70.68 -37.73 73.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.777 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.433 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.0 mt -70.9 -36.69 72.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 -176.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -65.86 -37.56 86.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.804 -175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 53.1 t -63.93 -39.78 86.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -66.07 -37.7 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 173.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 87.4 t80 -63.79 -37.57 87.87 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 83.6 mt -60.89 -30.37 70.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -177.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.0 p -91.55 -45.88 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.17 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.06 -96.01 0.12 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.545 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.26 -143.37 5.9 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.529 -179.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.6 mt -110.46 126.96 54.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.825 0.345 . . . . 0.0 110.889 178.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.2 mt -85.38 133.91 28.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 -173.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.466 ' HG2' ' H ' ' A' 4538 ' ' ASP . 87.8 tt0 -125.8 132.68 24.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.559 0.695 . . . . 0.0 110.924 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 75.3 Cg_exo -55.99 -27.72 65.35 Favored 'Trans proline' 0 N--CA 1.465 -0.192 0 C-N-CA 122.676 2.251 . . . . 0.0 112.334 -175.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.466 ' H ' ' HG2' ' A' 4536 ' ' GLU . 60.3 t0 -70.78 -69.16 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -178.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 14.3 t -53.54 145.59 28.08 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.596 0.713 . . . . 0.0 111.11 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -62.76 -22.76 74.18 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.677 2.252 . . . . 0.0 112.338 175.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -123.66 -121.78 2.66 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.508 -176.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 -136.71 154.74 50.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.856 0.36 . . . . 0.0 110.9 178.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.8 t -104.75 124.65 36.19 Favored Pre-proline 0 C--N 1.331 -0.224 0 CA-C-O 121.654 0.74 . . . . 0.0 111.151 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.29 148.14 52.19 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.669 2.246 . . . . 0.0 112.369 174.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 51.3 tp -58.84 -40.32 83.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.911 176.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.3 -38.98 92.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.834 177.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 51.3 tp10 -69.61 -34.81 74.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.44 83.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.124 176.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.552 HD21 ' HB2' ' A' 4559 ' ' ALA . 28.8 mt -65.61 -46.69 78.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.95 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -72.83 -24.71 60.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.994 -178.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.0 -21.02 44.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 174.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 90.84 -7.5 81.12 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.465 173.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 10.2 t -61.98 -23.37 66.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 111.168 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 32.7 m -124.14 150.5 28.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 168.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.6 t0 -90.24 172.17 8.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.796 173.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.95 86.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.187 172.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.39 -36.99 85.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 173.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 48.2 m -68.04 -39.9 82.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.552 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.7 -42.45 86.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.096 -173.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -69.83 -28.46 65.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.977 178.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 92.2 mttt -67.69 -34.12 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.96 173.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -69.9 -33.39 72.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 171.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.9 mtp180 -74.17 -22.07 59.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 175.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 49.6 t0 -96.02 61.13 2.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.4 m -65.21 -21.86 30.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.051 176.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.65 -16.46 67.8 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.501 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.19 -21.97 65.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 111.092 175.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 79.6 t80 -69.59 137.26 52.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 33.6 t -63.4 139.82 58.81 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.906 -176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 95.5 mttt -77.47 148.16 35.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -146.67 -16.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 6.8 mp -103.3 129.97 50.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -173.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.9 m -108.24 126.74 53.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.215 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.528 ' HB3' ' HB2' ' A' 4579 ' ' LEU . 51.1 t -82.31 131.69 55.16 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.637 0.732 . . . . 0.0 110.809 176.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.49 109.09 1.52 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -178.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -177.65 -44.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 178.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.44 HG23 ' O ' ' A' 4577 ' ' THR . 11.8 t -176.72 44.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.068 -177.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.9 mttt 62.81 61.13 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.782 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.528 ' HB2' ' HB3' ' A' 4574 ' ' CYS . 97.4 mt -96.47 99.38 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.925 -177.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -79.44 111.82 16.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.91 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.5 pt -129.73 162.13 37.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.188 -169.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.4 p -71.57 168.61 17.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 177.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.466 ' O ' ' HG ' ' A' 4587 ' ' LEU . 1.4 t80 -64.81 -40.38 95.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.927 176.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.0 tttt -63.81 -40.0 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.878 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.78 -40.09 91.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.796 174.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.64 -38.34 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 176.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' 4583 ' ' TYR . 87.1 mt -67.09 -35.62 80.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.27 -29.83 66.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.87 174.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -99.76 -1.75 36.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.832 -175.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.8 p -76.74 170.47 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.9 ttm -107.11 119.7 40.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.798 179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.48 HG12 ' H ' ' A' 4594 ' ' GLU . 84.6 t -91.22 124.51 43.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.113 179.083 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' 4594 ' ' GLU . 51.8 tp10 -66.74 -27.08 67.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.866 -174.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.48 ' H ' HG12 ' A' 4592 ' ' VAL . 95.1 mt-10 65.54 50.04 1.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 -175.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -133.49 -94.59 0.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.545 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 49.0 p -127.75 69.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.816 0.341 . . . . 0.0 111.142 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 64.95 37.48 94.33 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 95.9 mt -109.07 90.2 3.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.808 0.337 . . . . 0.0 110.823 -173.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.413 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 93.3 mtt-85 -83.66 131.97 34.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 169.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 70.7 mt -114.84 134.11 55.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 174.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -90.01 124.39 34.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -76.01 135.19 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -173.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -143.41 154.71 43.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 172.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.6 50.89 1.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 178.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 60.4 29.95 19.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.132 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 68.9 tp60 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -178.103 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.428 ' O ' ' NE2' ' A' 4395 ' ' HIS . 99.1 mmm . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.866 0.365 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 72.4 -159.72 53.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.485 160.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -83.46 65.86 8.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.855 0.36 . . . . 0.0 110.806 -172.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.428 ' NE2' ' O ' ' A' 4392 ' ' MET . 32.1 p80 -164.93 171.09 14.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.915 168.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -134.62 141.07 46.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 -158.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 81.2 t60 -152.87 141.09 20.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.854 168.517 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -151.54 43.09 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.855 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 70.8 t60 -145.8 113.93 6.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.845 -172.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 91.5 p -165.88 156.88 13.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -138.84 56.64 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -176.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 28.1 ptm -174.75 159.19 2.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.934 168.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 12.0 mp0 -128.85 133.37 47.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.9 171.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.459 HD23 ' N ' ' A' 4404 ' ' LEU . 2.7 pt? -146.67 178.35 8.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 177.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -102.06 -78.94 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.084 -175.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 92.7 p -150.09 171.76 16.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.85 -175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.0 m95 -100.06 26.87 6.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.968 -172.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 87.8 p -79.2 172.65 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.811 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -116.67 84.08 14.83 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.63 0.729 . . . . 0.0 110.865 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -70.16 114.3 3.72 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.665 2.243 . . . . 0.0 112.373 176.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 85.3 m -124.17 102.61 7.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.069 177.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -150.42 97.54 2.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.864 -178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -57.99 90.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 54.4 p -152.99 172.28 17.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 -176.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 130.57 167.55 12.04 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.496 166.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -70.08 -167.51 0.24 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.766 2.311 . . . . 0.0 112.287 173.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.456 HG11 ' HB2' ' A' 4601 ' ' LEU . 70.0 t -40.25 118.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.027 -178.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.99 -28.14 15.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.07 -177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.94 -172.05 23.73 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.537 -174.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 47.8 mm -112.5 140.3 32.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.776 0.322 . . . . 0.0 111.2 -173.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.8 tt -121.24 124.87 45.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 174.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.477 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.1 t0 -78.68 110.62 13.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.759 173.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 91.6 m -61.75 -24.75 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.168 -174.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.34 -34.27 76.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 -175.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 41.5 p -135.66 0.68 2.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.2 mp 53.85 58.18 5.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.912 -175.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -104.96 114.49 28.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 63.0 pttt -81.34 127.49 32.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.837 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.7 m -135.1 159.96 41.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.146 175.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.0 p -71.7 168.7 17.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.853 177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.1 mm -61.5 -42.18 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 177.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.4 m -66.43 -42.44 87.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 176.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -65.24 -36.63 84.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.987 178.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.415 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -64.63 -44.38 90.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.082 179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.4 mtm -67.03 -30.42 70.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.825 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.531 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -61.26 -38.91 88.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.851 -169.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.531 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.0 ptp180 167.73 43.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.904 174.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 23.1 t-20 -91.71 -54.32 3.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 177.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' 4438 ' ' ASN . 3.9 pp 179.49 -26.47 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 174.216 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 15.5 m -79.37 165.16 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 -176.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 51.1 p30 -110.78 179.32 4.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.862 177.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.75 -36.26 76.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 39.0 mm -65.17 -44.16 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -65.33 -43.18 91.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.7 -38.8 97.04 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 176.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -64.23 -42.7 96.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.791 0.329 . . . . 0.0 110.944 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.7 mmp_? -67.67 -38.82 84.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.771 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 78.6 mt -68.87 -40.23 79.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 89.4 mt -66.33 -38.08 86.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 176.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -62.84 -40.68 98.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 172.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.51 -36.25 83.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -67.66 -39.72 84.53 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 172.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.77 -33.83 76.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 178.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.7 m -60.41 -21.67 62.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.858 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 75.9 p -100.88 28.81 4.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 176.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 99.99 -106.28 3.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.54 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.43 168.68 33.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.488 -178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.1 mm -77.97 138.69 19.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.747 0.308 . . . . 0.0 111.187 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 49.1 mm -98.43 115.97 40.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 -170.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 17.8 t0 -81.03 128.06 72.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.514 0.673 . . . . 0.0 110.899 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -69.27 -5.44 15.9 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.702 2.268 . . . . 0.0 112.333 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.8 m -52.49 -43.12 64.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 174.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 10.6 t -174.92 25.58 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.163 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.53 29.76 42.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.46 177.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -72.93 146.58 45.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.924 0.392 . . . . 0.0 110.876 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 69.1 mtp85 -104.7 121.4 43.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -135.17 150.28 72.39 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.669 0.747 . . . . 0.0 110.881 174.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -53.74 152.31 22.79 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.755 2.303 . . . . 0.0 112.37 171.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.0 t -58.18 -45.76 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.035 -177.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 59.2 m -67.01 -36.22 81.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -176.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -69.98 -36.05 74.89 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.846 178.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.75 -34.35 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.016 176.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 72.4 t -63.6 -38.45 82.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -67.65 -25.68 65.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 67.8 mttm -84.29 -19.09 34.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.02 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 97.52 14.99 39.1 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.504 -178.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 38.2 tp -86.99 -46.86 9.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.836 0.351 . . . . 0.0 110.87 -178.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.4 t -111.35 142.97 22.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.97 144.17 47.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.805 177.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.9 mtmt -58.46 -34.48 70.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.876 179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.9 pt -72.55 -12.85 16.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -173.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.46 -5.33 36.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.836 -176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.434 ' O ' ' HB2' ' A' 4487 ' ' ASN . 78.7 t -63.69 -53.43 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.143 -175.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -66.58 -36.65 83.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.834 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 57.1 ttm-85 -65.11 -43.16 92.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.964 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.9 mt -84.01 -17.04 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.122 -176.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.3 t-20 -62.45 -25.21 67.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.831 -168.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 28.5 tp -60.98 -35.2 76.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 175.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.13 -36.44 81.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -65.09 -39.56 93.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 170.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.494 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.1 mtmt -70.16 -33.51 71.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.832 -178.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.07 -36.61 84.87 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.3 t80 -73.08 -49.96 25.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 174.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.0 t -175.04 82.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.887 -178.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.494 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -139.58 -57.96 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.477 173.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -53.19 124.01 13.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.8 0.333 . . . . 0.0 110.884 173.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -164.1 145.36 8.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -113.83 138.35 22.7 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.591 0.71 . . . . 0.0 110.925 174.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -74.13 81.64 1.94 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.632 2.221 . . . . 0.0 112.393 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 176.15 -34.66 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.787 -167.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.2 t -125.29 -32.3 2.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.173 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.4 mmmt 44.51 59.8 3.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 169.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.8 t -106.52 -28.69 10.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.101 -164.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.8 mttt 57.24 51.15 10.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 178.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.431 ' H ' ' HG3' ' A' 4505 ' ' MET . 0.0 OUTLIER -61.79 161.58 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.895 178.872 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 53.1 p -77.92 173.51 12.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 176.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.24 -41.59 98.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 173.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.94 -40.81 87.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.016 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -69.11 -32.13 71.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.976 174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.467 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -59.23 -36.93 76.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.135 179.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.482 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.9 -42.35 90.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.102 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -75.66 -28.31 58.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 -175.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -98.53 -17.29 18.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -172.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 91.8 38.69 5.73 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 170.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 64.9 m95 -96.24 -72.68 0.62 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.844 0.354 . . . . 0.0 110.908 175.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.467 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.0 tp -70.63 168.62 16.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 169.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . 0.463 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 43.0 p90 -110.77 161.26 15.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.975 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 83.4 t80 -57.44 -46.28 83.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 -163.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -62.34 -37.13 84.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.89 -171.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . 0.463 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -76.28 -46.58 27.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.7 -41.58 99.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.536 -172.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 97.3 mm-40 -64.67 -38.63 91.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.757 0.313 . . . . 0.0 110.889 -178.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.68 -41.03 92.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -75.97 -38.38 57.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.655 ' HB3' HD11 ' A' 4562 ' ' LEU . 89.7 mt -72.25 -37.25 69.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -174.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -65.43 -39.07 91.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -177.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 59.9 t -65.47 -39.91 86.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.138 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -64.72 -38.85 92.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.934 175.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 89.8 t80 -64.91 -39.89 94.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 72.9 mt -64.4 -30.37 71.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 -177.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 80.4 p -88.56 -28.61 20.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.175 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 177.61 -75.32 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.528 167.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -138.11 -167.3 10.97 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.52 -175.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 37.9 mt -95.29 126.98 40.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.758 0.313 . . . . 0.0 110.957 -177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 98.0 mt -83.69 134.03 27.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 -169.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -129.89 127.03 22.72 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.58 0.705 . . . . 0.0 110.844 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -66.81 -27.24 44.23 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.751 2.3 . . . . 0.0 112.288 -176.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.5 72.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.885 178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.481 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 70.5 p -84.98 160.0 56.13 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.561 0.696 . . . . 0.0 111.147 178.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.481 ' HD2' ' HB ' ' A' 4539 ' ' THR . 33.2 Cg_endo -60.98 -20.21 66.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.752 2.302 . . . . 0.0 112.291 175.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.75 -115.06 0.5 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.54 -177.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -135.1 151.02 50.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.805 0.336 . . . . 0.0 110.909 -172.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 91.3 t -110.63 128.31 25.54 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.719 . . . . 0.0 111.155 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.69 145.88 37.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.732 2.288 . . . . 0.0 112.329 175.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 52.3 tp -56.93 -43.66 81.67 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.932 -177.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.86 -38.73 92.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.935 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 78.2 tt0 -71.49 -33.43 69.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 175.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . 0.539 ' HB1' ' OG1' ' A' 4553 ' ' THR . . . -61.49 -35.54 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.507 HD21 ' HB2' ' A' 4559 ' ' ALA . 29.5 mt -64.25 -47.01 81.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.6 pt20 -73.23 -25.61 60.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.962 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -78.25 -16.41 57.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 174.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.8 22.38 58.03 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.46 172.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.539 ' OG1' ' HB1' ' A' 4548 ' ' ALA . 4.4 p -80.1 -27.66 39.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.834 0.349 . . . . 0.0 111.133 175.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.3 m -136.41 154.52 32.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.165 -171.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -95.33 166.66 11.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.97 86.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -63.83 -38.21 90.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 175.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.8 m -69.74 -38.97 77.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.109 176.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.507 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.48 -42.57 92.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.086 -172.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -68.28 -31.17 70.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.939 178.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.0 mttt -66.35 -35.19 79.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.655 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.5 mm? -71.18 -32.73 69.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.993 171.634 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.51 -21.55 60.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.851 175.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 50.2 t0 -88.19 61.12 6.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.1 m -65.79 -20.26 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.069 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.17 -15.5 60.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.543 -179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -75.01 -14.72 60.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.848 0.356 . . . . 0.0 111.147 175.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 73.6 t80 -72.03 138.14 47.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 40.6 t -64.95 139.77 58.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -171.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -77.96 156.82 29.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.938 166.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.424 ' CE1' ' HG ' ' A' 4572 ' ' LEU . 35.0 p90 -175.89 -24.17 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 175.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.424 ' HG ' ' CE1' ' A' 4571 ' ' TYR . 76.9 mt -74.15 134.33 42.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 -177.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.5 m -100.93 129.1 46.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 -174.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 40.5 t -135.85 138.14 27.14 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 172.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 4603 ' ' ALA . 29.5 Cg_endo -62.48 117.83 4.71 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.674 2.249 . . . . 0.0 112.354 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.7 tttt -165.0 -74.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.44 HG23 ' HG3' ' A' 4578 ' ' LYS . 15.3 t -174.98 -25.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.249 179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.9 mttt -107.58 -22.57 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.986 175.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' 4578 ' ' LYS . 11.0 mp 72.26 -62.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 173.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -76.46 112.95 13.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.923 -175.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.7 pt -129.98 165.61 29.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.074 -174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -73.0 168.77 18.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.489 ' O ' ' HG ' ' A' 4587 ' ' LEU . 24.4 t80 -63.16 -38.85 92.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.9 174.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -65.29 -40.32 93.69 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -65.49 -39.36 91.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.806 176.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.74 -36.69 85.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.131 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.3 mt -66.05 -36.7 83.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 177.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.24 -29.93 66.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 176.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.0 mmt180 -100.76 0.36 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -173.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 83.1 p -70.17 157.38 37.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.895 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 ttm -120.94 125.46 47.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 178.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.2 t -88.31 132.0 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.191 178.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -49.26 -64.65 0.74 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 -179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -157.9 -56.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.841 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 179.2 55.08 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.556 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 68.1 p -129.94 13.62 5.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.763 0.316 . . . . 0.0 111.085 -178.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.02 24.79 63.36 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.499 -177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.8 mt -106.26 92.01 3.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.801 0.334 . . . . 0.0 110.956 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -83.5 134.33 34.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 171.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 44.2 mt -114.41 137.39 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.456 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.71 123.04 32.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 177.134 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.94 128.33 34.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -177.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' A' 4575 ' ' PRO . . . -146.1 153.59 40.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 172.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -135.76 54.42 1.91 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 52.53 46.12 27.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 93.6 mm-40 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.917 -176.759 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.843 0.354 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 115.23 163.31 13.95 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.47 -166.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -149.09 -45.04 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.914 0.388 . . . . 0.0 110.86 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -179.26 131.5 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -149.37 63.82 1.02 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 173.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 53.7 t60 -158.06 162.22 38.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -171.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -118.86 108.9 15.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 172.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 76.3 m-70 -89.54 173.49 8.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -173.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 88.7 p -157.26 172.47 18.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -76.56 137.96 39.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.833 179.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mmm -125.06 -162.26 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.811 -171.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -83.22 -170.84 3.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.923 -168.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 4.2 pp -95.02 170.05 9.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -171.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -76.75 118.21 19.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.14 177.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 67.7 m -111.72 19.06 18.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.875 170.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -154.98 155.85 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 42.0 t -156.78 121.73 4.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.803 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.1 t0 -155.02 99.41 2.36 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.855 178.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.493 ' O ' ' HB ' ' A' 4411 ' ' THR . 87.2 Cg_endo -79.58 -176.05 3.05 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.686 2.257 . . . . 0.0 112.322 -176.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . 0.493 ' HB ' ' O ' ' A' 4410 ' ' PRO . 31.1 m 81.46 -98.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.145 171.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 45.02 58.53 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -177.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -83.82 89.32 7.17 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -176.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 74.3 p -123.39 38.76 4.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.242 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -66.77 143.89 44.39 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.539 -171.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.421 ' HD3' HG21 ' A' 4455 ' ' THR . 67.5 Cg_endo -84.93 -152.55 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.648 2.232 . . . . 0.0 112.345 177.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.466 HG11 ' HB2' ' A' 4601 ' ' LEU . 54.2 t -49.42 136.76 6.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.059 169.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.66 -37.56 12.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.59 -171.37 21.36 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.458 -173.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.2 mm -112.47 140.03 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.372 . . . . 0.0 111.113 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -125.58 125.5 43.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.914 174.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.507 ' O ' ' N ' ' A' 4426 ' ' LEU . 66.9 t0 -83.75 117.29 23.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 174.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' 4426 ' ' LEU . 39.2 p -77.13 -9.85 59.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.196 -173.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -75.81 -22.48 56.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.897 175.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 67.7 p -135.03 -4.99 2.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.07 -177.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.507 ' N ' ' O ' ' A' 4422 ' ' ASP . 1.8 mp 46.95 53.63 10.23 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -173.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -111.0 127.03 55.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.876 179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -78.21 124.01 27.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.931 175.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.5 m -133.76 159.45 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.057 177.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 77.2 p -75.51 171.63 13.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.6 mm -62.08 -42.21 94.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.113 177.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 53.3 m -66.35 -43.3 86.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.089 177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -65.47 -37.12 85.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.898 -177.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.59 94.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 75.1 mtm -68.69 -31.65 70.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 177.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.493 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.4 t60 -62.26 -37.47 85.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.864 -170.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.493 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.5 ptp180 171.14 55.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 175.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 44.4 t30 -105.01 -73.26 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 173.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.5 pp -166.72 -22.28 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 -176.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.4 m -84.75 150.34 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.138 -177.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.9 p30 -95.11 -179.98 5.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 172.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -59.57 -40.55 87.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.0 mm -66.02 -39.7 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.102 -171.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 95.4 m -64.97 -42.54 94.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.139 176.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.02 -40.34 99.17 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.487 177.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 69.9 mt-30 -64.25 -44.67 91.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.732 0.301 . . . . 0.0 110.969 -178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 23.2 tpp180 -66.23 -40.41 90.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.877 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.44 -39.41 85.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.938 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 86.8 mt -66.9 -39.27 87.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 177.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.41 -36.78 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 174.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -64.95 -38.23 90.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.052 178.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -69.45 -37.14 77.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 172.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.42 -33.73 76.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.06 178.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 91.1 m -83.97 12.78 5.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . 0.421 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -130.13 31.75 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 169.304 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 112.71 -141.5 16.87 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.436 -174.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.74 170.04 52.79 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.528 174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 40.9 mm -64.38 130.71 29.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 120.714 0.292 . . . . 0.0 111.212 174.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.432 HG12 ' HG2' ' A' 4466 ' ' ARG . 96.1 mt -95.21 121.61 45.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.185 -167.149 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.9 t0 -85.94 119.88 72.2 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.613 0.721 . . . . 0.0 110.793 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -61.84 106.57 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.701 2.267 . . . . 0.0 112.383 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.7 t 174.98 -47.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -169.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.8 t -173.02 24.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.111 173.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.9 20.64 57.47 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.865 -0.683 . . . . 0.0 112.466 169.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -71.09 139.52 50.36 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.798 0.332 . . . . 0.0 110.904 178.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . 0.432 ' HG2' HG12 ' A' 4459 ' ' ILE . 89.1 mtm180 -111.21 137.18 49.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 89.2 m-85 -132.25 140.07 36.86 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.69 0.757 . . . . 0.0 110.882 174.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.49 146.4 19.56 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 171.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 59.7 t -55.36 -43.49 71.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 -171.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.0 m -66.22 -38.68 88.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.163 178.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -70.24 -33.09 71.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.83 176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.76 -32.38 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -174.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 79.7 t -64.89 -38.93 84.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 171.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -74.08 -27.15 60.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.956 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.0 tttt -154.94 55.03 0.66 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.829 -171.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -170.47 -143.08 3.81 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.459 -177.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.57 ' H ' HD22 ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.36 26.03 4.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.867 0.365 . . . . 0.0 110.912 -172.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 95.0 t -99.73 138.98 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -81.68 150.02 28.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 176.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -59.04 -34.98 72.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.885 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.4 pt -74.57 -11.58 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.6 mtt -102.17 -4.65 25.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.45 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.3 t -62.5 -50.24 80.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.085 -177.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.26 -43.71 81.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -173.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 17.9 ptp180 -68.25 -35.87 78.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -176.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -83.16 -22.03 8.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.172 -179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.45 ' HB2' ' O ' ' A' 4483 ' ' VAL . 47.8 t-20 -60.57 -36.61 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -173.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 26.0 tp -64.16 -35.18 79.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.929 175.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -70.59 -39.94 73.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.081 -179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' 4487 ' ' ASN . 4.8 pt20 -68.71 -34.56 75.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 178.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -68.72 -35.41 77.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.911 173.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . 0.613 ' O ' ' HB2' ' A' 4507 ' ' ALA . . . -63.85 -30.73 71.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.078 -174.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 75.4 t80 -62.67 -36.06 81.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.888 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 77.8 m -99.86 -0.87 38.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.858 -170.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.408 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 85.3 28.02 31.62 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.44 -177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.444 ' HB2' ' HB2' ' A' 4516 ' ' LEU . 53.9 t80 69.41 -67.45 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.892 -177.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' 4502 ' ' LYS . 36.5 mt-10 66.03 -175.03 0.18 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 55.3 p30 -126.89 147.26 60.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.527 0.68 . . . . 0.0 110.849 168.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 65.3 Cg_endo -75.07 80.69 2.39 Favored 'Trans proline' 0 N--CA 1.464 -0.208 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 -175.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.47 ' HG3' HG23 ' A' 4501 ' ' THR . 33.1 ptt180 175.15 -34.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.861 -178.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . 0.47 HG23 ' HG3' ' A' 4500 ' ' ARG . 28.5 p -123.11 -40.04 2.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 178.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . 0.411 ' HA ' ' HB3' ' A' 4497 ' ' GLU . 30.4 mmmt 61.85 94.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 -177.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.403 ' O ' ' HB2' ' A' 4504 ' ' LYS . 40.3 m -76.93 -26.23 53.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.211 -165.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' 4503 ' ' THR . 75.9 mmtt 66.7 70.22 0.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.408 ' HB2' ' HE3' ' A' 4505 ' ' MET . 71.4 mtm -119.97 174.31 6.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -174.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.5 t -82.24 150.34 27.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.802 173.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' A' 4492 ' ' ALA . . . -59.37 -37.47 77.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.122 172.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.4 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -64.57 -34.94 79.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -68.16 -35.46 78.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.868 173.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -63.41 -31.01 72.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.118 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . . . . . . . . . 3.6 mp -64.63 -20.26 66.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . 0.627 ' O ' ' CB ' ' A' 4513 ' ' LYS . 68.5 mmtt -53.54 -15.91 1.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.889 -174.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.627 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.6 tttt 103.6 102.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.886 166.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 137.69 -14.1 3.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -177.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 81.2 m95 -109.99 -63.17 1.41 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.444 ' HB2' ' HB2' ' A' 4496 ' ' PHE . 2.9 tt -132.05 153.76 50.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.869 -171.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 12.1 t80 -59.97 119.97 8.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.969 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.48 -50.35 73.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.943 -167.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -66.43 -40.34 89.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.843 -171.482 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -70.13 -46.05 65.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.118 -178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.01 -39.47 97.62 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.517 175.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -62.86 -37.1 85.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.784 0.326 . . . . 0.0 110.892 175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -67.18 -36.99 82.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.865 177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -71.39 -31.48 67.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 178.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.507 HD21 ' HB3' ' A' 4507 ' ' ALA . 84.5 mt -67.51 -31.95 72.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 176.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.48 -38.92 91.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 62.6 t -64.19 -42.27 95.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.083 176.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -68.69 -35.29 77.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.855 177.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 81.4 t80 -61.55 -37.92 85.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 178.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 90.4 mt -64.44 -31.8 73.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 43.4 p -81.46 -30.1 33.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.163 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 170.27 -74.95 0.11 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.537 173.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.3 -172.27 12.66 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 178.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 39.1 mt -95.6 150.24 20.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.769 0.319 . . . . 0.0 110.902 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 1.2 mp -80.18 129.97 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.137 -178.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -145.55 109.28 4.49 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.582 0.706 . . . . 0.0 110.87 177.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -60.56 -17.12 46.78 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.664 2.242 . . . . 0.0 112.309 -175.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.68 -53.95 52.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.804 175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 67.4 p -89.54 157.94 46.33 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.538 0.685 . . . . 0.0 111.199 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 95.3 Cg_endo -77.16 64.83 7.89 Favored 'Trans proline' 0 CA--C 1.527 0.162 0 C-N-CA 122.713 2.275 . . . . 0.0 112.313 176.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 138.8 -151.79 21.84 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.451 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -98.1 148.95 23.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.891 0.377 . . . . 0.0 110.817 -177.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 93.3 t -110.89 128.72 24.86 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.681 0.753 . . . . 0.0 111.123 -177.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -54.97 146.73 56.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.724 2.283 . . . . 0.0 112.303 174.388 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.99 -43.41 91.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -64.16 -37.37 87.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.837 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -70.58 -34.66 72.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.51 -35.34 79.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 177.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.499 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.7 mt -65.38 -46.51 79.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.971 -178.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -72.32 -26.12 61.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.969 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 44.2 ttm-85 -74.88 -22.53 58.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.84 21.65 52.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.43 171.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -99.11 -20.41 16.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.19 -179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.4 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.0 m -125.0 159.82 31.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.12 172.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 22.7 t0 -102.41 169.93 8.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 178.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.5 -40.99 98.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.14 177.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.09 -38.59 91.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.773 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 95.7 m -69.12 -39.92 78.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.499 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -66.15 -43.15 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.092 -173.265 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -65.62 -30.96 71.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 87.3 mttt -66.66 -36.98 83.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.919 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.513 ' HA ' HD13 ' A' 4562 ' ' LEU . 1.4 mm? -71.2 -27.0 63.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.945 174.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -76.88 -15.02 59.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 179.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -103.7 26.01 9.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.934 -172.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 19.6 m -63.53 -24.73 36.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.86 -20.81 77.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.442 176.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -98.24 -16.38 19.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.831 0.348 . . . . 0.0 111.14 174.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 78.9 t80 -69.51 142.35 53.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 178.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.5 t -58.66 135.55 57.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.87 -171.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 39.4 mmtm -89.35 149.98 22.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.954 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -113.7 -29.88 6.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.955 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.1 mt -101.75 129.68 47.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -176.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 75.3 p -114.89 133.81 55.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.158 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.451 ' HA ' ' HD3' ' A' 4575 ' ' PRO . 71.3 m -133.08 138.25 31.31 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.621 0.724 . . . . 0.0 110.826 172.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.472 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.5 Cg_exo -55.04 138.67 79.11 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.701 2.268 . . . . 0.0 112.277 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.8 tttt 174.99 -64.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.924 178.325 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.435 HG23 ' HG2' ' A' 4578 ' ' LYS . 14.2 t -174.96 -25.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.165 173.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' A' 4579 ' ' LEU . 75.4 mmtt -101.83 -21.03 14.67 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 178.089 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.533 ' HB2' ' O ' ' A' 4578 ' ' LYS . 10.9 mp 65.56 -66.43 0.15 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -173.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.5 mttt -69.54 116.48 10.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.919 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.07 163.3 35.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.132 -172.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 79.9 p -80.02 164.75 23.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -60.59 -36.14 77.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.954 -175.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 63.9 tttm -61.6 -37.77 85.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -65.88 -40.96 92.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.811 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.52 -39.62 92.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.175 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 91.7 mt -69.06 -36.0 77.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -72.09 -30.1 64.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 78.5 mtp180 -99.83 3.66 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.817 -175.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 59.9 p -69.12 165.03 21.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 179.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 52.6 tpp -105.5 129.01 53.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 91.1 t -92.81 124.99 45.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.15 174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -48.5 148.4 2.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.858 176.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -85.26 78.34 9.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.933 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 135.0 -74.42 0.43 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.519 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 95.1 m -59.08 -40.13 84.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.829 0.347 . . . . 0.0 111.147 -176.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 95.81 18.24 32.89 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.537 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 99.7 mt -65.05 138.19 58.17 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.8 0.333 . . . . 0.0 110.928 178.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -84.76 119.91 25.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.802 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 72.3 mt -116.62 137.84 51.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.963 178.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.466 ' HB2' HG11 ' A' 4417 ' ' VAL . 61.6 tp -85.0 120.98 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 178.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 92.3 mt-10 -79.19 129.37 34.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.849 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -155.1 155.11 33.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -118.55 144.94 45.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.19 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.05 -42.08 94.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.101 179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 178.059 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.5 mmm . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.849 0.356 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -73.93 129.59 11.98 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.54 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -145.91 -170.6 3.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.773 0.32 . . . . 0.0 110.911 -178.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 78.2 m80 -62.17 76.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 169.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 42.0 p-80 -126.81 171.18 11.45 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -174.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.5 t-80 -86.9 115.78 24.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -177.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 83.5 t60 -149.9 101.62 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 167.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 82.8 m-70 -147.45 71.78 1.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 34.5 t -136.96 107.1 6.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 176.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 52.5 p-80 -164.7 -2.15 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -175.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.43 166.8 10.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 -173.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -141.24 74.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 176.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 2.6 pt? -162.5 165.01 26.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.93 173.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.87 -82.2 0.43 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.12 179.029 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 83.7 p -174.0 -177.44 1.34 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 -171.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.2 m95 -128.35 68.16 1.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.868 179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 38.2 t -169.98 139.49 1.88 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 178.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 66.7 t0 -154.31 104.36 2.4 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.601 0.715 . . . . 0.0 110.836 -169.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -71.34 -167.3 0.28 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.262 . . . . 0.0 112.305 170.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 43.0 p -110.74 -94.96 0.42 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.184 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' 4413 ' ' GLU . 97.1 mt-10 62.47 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -178.149 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' A' 4412 ' ' GLU . 84.4 mt-10 71.43 26.72 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 40.2 p -124.83 174.53 7.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.094 173.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 144.85 -146.95 17.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.369 177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -72.77 -175.49 1.9 Allowed 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.689 2.259 . . . . 0.0 112.398 -175.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.468 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 75.9 t -41.82 123.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.064 -175.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -88.86 -36.89 15.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.57 -176.65 27.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.477 -175.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.4 mm -110.14 138.12 39.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.805 0.336 . . . . 0.0 111.12 -173.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.9 tt -116.03 122.59 45.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 175.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.2 t0 -82.65 112.0 19.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 177.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . 0.535 ' HB ' ' HB2' ' A' 4604 ' ' ALA . 24.5 m -64.88 -25.82 68.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 -174.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -55.51 -39.84 71.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 21.1 p -139.26 13.72 2.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.109 178.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.403 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.1 mp 55.14 59.83 3.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -178.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -102.81 122.2 44.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -78.32 116.95 19.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 174.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -130.65 159.85 42.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.074 178.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 87.8 p -77.71 166.22 23.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -176.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 45.1 mm -59.97 -41.07 84.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.109 173.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 86.2 m -66.28 -43.42 86.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.147 178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -66.86 -40.74 87.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -176.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.43 -41.39 84.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.058 174.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 60.2 ttp -64.51 -27.88 69.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.988 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.577 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.0 t60 -59.26 -37.56 77.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 -172.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.577 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.1 ptp180 159.15 40.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 174.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -84.97 -66.18 0.93 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -161.54 -14.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.881 -175.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.7 m -100.02 155.53 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 174.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 44.3 p30 -97.04 176.08 6.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.787 177.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -59.82 -35.2 74.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 37.6 mm -64.84 -44.96 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.099 -177.037 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 66.9 m -64.98 -40.02 94.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.043 -179.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.75 -41.44 99.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 174.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.7 tm0? -65.21 -38.81 91.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.776 0.322 . . . . 0.0 110.871 173.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 25.4 mmt85 -65.46 -43.39 90.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . 0.462 HD22 ' HB ' ' A' 4417 ' ' VAL . 95.4 mt -70.93 -38.95 72.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 81.9 mt -66.37 -37.67 85.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.98 177.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -62.57 -39.46 93.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -39.33 93.26 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.087 179.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -69.71 -33.57 72.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 175.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . 0.425 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -63.67 -34.48 77.95 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.088 176.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 89.7 m -68.94 -10.38 57.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.892 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 68.3 p -115.42 34.28 4.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 171.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.98 -131.81 10.74 Favored Glycine 0 C--N 1.33 0.23 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.474 177.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -80.64 177.23 54.44 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.493 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.0 mm -74.21 134.75 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.748 0.309 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 98.0 mt -108.24 114.14 45.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 -174.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.419 ' HB3' ' HB2' ' A' 4465 ' ' GLU . 68.4 t0 -87.18 120.37 71.34 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.602 0.715 . . . . 0.0 110.928 176.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -64.92 114.78 2.93 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.606 2.204 . . . . 0.0 112.337 175.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 32.4 t 176.16 -46.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -170.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -172.25 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.145 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.74 41.17 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.419 ' HB2' ' HB3' ' A' 4460 ' ' ASP . 62.8 mm-40 -71.39 142.1 50.33 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.772 0.32 . . . . 0.0 110.919 -177.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 54.7 ttt85 -138.62 114.16 9.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.91 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 22.8 p90 -155.67 156.1 30.33 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.582 0.706 . . . . 0.0 110.95 -178.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -60.82 151.53 76.48 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.693 2.262 . . . . 0.0 112.332 -175.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.9 p -58.4 -35.4 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.166 174.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.9 m -65.46 -38.09 88.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 -178.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -70.69 -34.46 71.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 174.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -60.05 -35.44 75.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -177.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.417 HG21 ' HA ' ' A' 4480 ' ' LYS . 92.5 t -65.66 -38.77 83.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 176.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -68.47 -27.09 65.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.86 177.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 96.2 mttt -85.14 -24.75 27.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.901 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 96.15 19.21 29.04 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.522 177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.455 HD23 ' O ' ' A' 4477 ' ' LEU . 5.2 tt -90.58 -50.07 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.373 . . . . 0.0 110.929 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.3 t -107.54 141.25 23.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -178.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . 0.526 ' HB3' HG12 ' A' 4481 ' ' ILE . 95.2 m-20 -66.77 139.85 57.82 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 177.314 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . 0.417 ' HA ' HG21 ' A' 4473 ' ' VAL . 62.5 pttt -58.45 -29.25 66.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . 0.526 HG12 ' HB3' ' A' 4479 ' ' ASP . 11.6 pt -71.19 -10.52 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.132 -178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . 0.431 ' HA ' ' HE ' ' A' 4485 ' ' ARG . 67.4 mtt -100.29 -3.34 31.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.873 -177.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.417 ' CG2' HG21 ' A' 4473 ' ' VAL . 61.8 t -62.79 -49.04 85.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.045 -178.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -66.16 -44.54 83.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -174.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . 0.431 ' HE ' ' HA ' ' A' 4482 ' ' MET . 16.0 ptp180 -68.59 -35.44 77.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -178.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.425 HG23 ' HB2' ' A' 4453 ' ' ALA . 60.1 mt -79.87 -30.6 13.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 -175.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -63.95 -33.02 74.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 -177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.49 HD12 ' HE3' ' A' 4491 ' ' LYS . 40.2 tp -62.3 -40.22 95.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.969 179.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -72.38 -35.53 68.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.089 174.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -63.57 -49.54 73.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.972 -171.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' 4488 ' ' LEU . 22.9 pttt -70.49 -31.41 68.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.89 69.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.137 178.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 65.2 t80 -70.85 -45.51 64.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 172.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 39.4 t -150.71 88.28 1.47 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.86 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 148.58 -146.25 15.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.474 -172.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 62.1 t80 55.02 85.04 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.862 0.363 . . . . 0.0 110.868 178.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' 4503 ' ' THR . 17.0 pt-20 -169.18 168.28 9.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -173.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.7 t0 -64.5 116.75 31.2 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.592 0.71 . . . . 0.0 110.941 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.451 ' O ' ' HB3' ' A' 4500 ' ' ARG . 73.5 Cg_endo -77.84 73.05 5.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.602 2.202 . . . . 0.0 112.451 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.451 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.0 ptt180 175.14 -34.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 -178.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.7 t -124.4 -21.59 4.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt 65.0 125.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.893 179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' 4497 ' ' GLU . 44.0 p -125.68 -30.25 3.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 -172.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.0 mttt 65.01 -74.97 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.457 ' HE3' ' HB2' ' A' 4505 ' ' MET . 40.9 mtm 58.09 -165.17 0.17 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.925 -177.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 29.7 p -118.77 167.21 11.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.895 163.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.405 ' O ' ' HB3' ' A' 4510 ' ' ALA . . . -62.74 -39.53 94.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.163 173.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.27 -36.12 80.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.084 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.404 ' HG3' ' OG1' ' A' 4553 ' ' THR . 83.8 mt-30 -66.38 -34.41 77.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.951 172.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' 4507 ' ' ALA . . . -60.42 -35.15 75.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 175.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -69.66 -40.28 76.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 170.308 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 83.8 tttt -65.78 -27.72 68.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.976 -177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -114.92 -177.59 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -178.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -91.94 52.79 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.386 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 34.9 m95 -110.25 -50.16 2.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.756 0.312 . . . . 0.0 110.863 -179.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 20.7 tp -124.53 144.48 50.1 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.951 -178.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 37.8 p90 -90.34 162.46 15.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.976 -172.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 93.4 t80 -56.87 -44.6 82.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.869 -163.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.21 -38.03 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.822 -171.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -75.76 -54.03 7.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.078 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.4 -38.95 97.19 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.508 -178.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.7 tp60 -62.42 -39.14 92.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.921 -176.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 73.2 mtp85 -66.18 -41.49 90.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -72.64 -35.88 67.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 -170.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4534 ' ' LEU . 96.9 mt -71.4 -36.79 71.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.814 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.79 -45.46 82.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -172.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 64.8 t -67.9 -41.87 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.232 -176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.9 -37.83 87.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.864 178.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 74.2 t80 -63.69 -40.61 97.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.96 -29.72 70.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.876 -177.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 77.1 p -89.09 -27.85 20.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.227 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -175.3 -75.02 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.501 177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -158.12 -168.21 20.1 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.583 HD22 HD22 ' A' 4525 ' ' LEU . 48.0 mt -86.9 119.32 26.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.699 0.285 . . . . 0.0 110.964 -173.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 89.4 mt -91.65 139.98 16.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 -176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -140.83 147.97 50.57 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-O 121.645 0.736 . . . . 0.0 110.832 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.28 -24.43 27.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.278 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 59.8 t0 -71.48 -70.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.869 -178.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 95.5 m -69.59 131.37 89.83 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 111.115 172.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.79 73.34 4.22 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.355 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 152.99 -155.81 26.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.501 -177.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 34.5 ptt-85 -122.89 140.73 52.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.827 -178.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 99.8 t -103.58 126.32 32.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.555 0.693 . . . . 0.0 111.152 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -55.24 146.97 57.77 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.65 2.233 . . . . 0.0 112.349 174.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.432 HD11 ' HA ' ' A' 4559 ' ' ALA . 37.9 tp -58.62 -42.71 88.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.994 -179.114 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -64.39 -38.04 89.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -70.8 -33.72 71.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.05 -35.59 80.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.068 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 19.7 mt -65.34 -46.97 78.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.906 -178.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -71.99 -26.42 62.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 46.0 ttm-85 -75.53 -25.34 57.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.801 177.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.48 -3.42 71.91 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.526 174.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.432 HG23 HG13 ' A' 4554 ' ' VAL . 13.7 t -72.01 -23.1 61.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.831 0.348 . . . . 0.0 111.05 -174.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.432 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -119.9 153.84 22.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 170.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.2 t0 -89.92 170.07 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.809 171.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.69 91.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.066 177.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -64.17 -38.53 91.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 177.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.9 m -68.96 -41.77 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.133 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.432 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.8 -41.98 82.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.172 -174.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -66.58 -30.96 71.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . 0.712 ' O ' HG13 ' A' 4565 ' ' VAL . 92.2 mttt -65.22 -36.96 85.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.99 176.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' 4562 ' ' LEU . 3.2 mm? -65.15 -31.02 72.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.949 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.26 -21.43 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 178.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -92.13 -34.69 14.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -170.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . 0.712 HG13 ' O ' ' A' 4561 ' ' LYS . 25.0 m -63.57 -25.21 37.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 -174.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.83 -18.1 73.93 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.505 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -90.04 -47.33 7.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.867 0.365 . . . . 0.0 111.138 -178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 72.4 t80 -76.11 129.79 37.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.031 -175.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . 0.547 ' O ' ' HB2' ' A' 4570 ' ' LYS . 33.2 m -78.12 131.91 37.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.827 177.503 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.729 ' O ' ' HG2' ' A' 4570 ' ' LYS . 75.3 tttt 170.38 54.64 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.918 167.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -125.88 -50.34 1.59 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.019 177.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 76.7 mt -114.98 147.99 39.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 -173.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.6 m -92.29 124.0 36.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.179 168.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 49.6 t -93.6 144.25 27.91 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.539 0.685 . . . . 0.0 110.955 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -67.66 -11.12 31.03 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.605 2.204 . . . . 0.0 112.349 178.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -79.9 -179.94 7.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.826 176.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 82.0 p -68.83 -20.2 64.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.14 -178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 97.7 mttt -93.8 76.73 4.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.893 177.436 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 5.9 mp -52.64 -56.09 17.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.004 -172.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -73.55 111.52 8.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 -170.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 45.0 pt -130.05 153.45 38.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.114 175.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . 0.42 ' HB3' ' HA ' ' A' 4569 ' ' SER . 58.6 p -76.57 154.23 34.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.836 174.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 66.2 t80 -65.3 -37.81 88.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 173.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -64.83 -39.48 93.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 -176.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -66.51 -36.96 83.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.818 174.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.1 -34.15 77.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.125 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 72.0 mt -64.12 -28.59 69.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.992 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -67.03 -30.08 70.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.872 178.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 56.9 mmm-85 -104.42 -11.55 17.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 40.2 t -66.75 137.96 57.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 174.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 72.2 mtm -120.01 135.69 54.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 -177.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.541 HG12 ' H ' ' A' 4594 ' ' GLU . 41.8 t -97.33 131.23 44.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 -171.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . 0.411 ' O ' ' HB2' ' A' 4594 ' ' GLU . 42.3 tt0 -50.91 -37.87 46.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -177.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.541 ' H ' HG12 ' A' 4592 ' ' VAL . 95.4 mt-10 62.94 52.23 2.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 -170.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -93.41 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.0 p -95.15 15.22 19.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.843 0.354 . . . . 0.0 111.126 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.01 32.2 24.16 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.469 175.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 78.0 mt -104.19 117.22 33.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.989 -177.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.468 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 99.8 mtt180 -88.81 134.51 33.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 77.8 mt -111.06 133.46 53.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 177.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 64.5 tp -88.98 118.45 28.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 177.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -79.29 117.91 20.73 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.834 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -154.47 156.99 37.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.066 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.535 ' HB2' ' HB ' ' A' 4423 ' ' THR . . . -145.3 131.08 19.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.136 -178.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -65.28 -44.0 89.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.062 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.973 178.108 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 68.7 mtp . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.871 0.367 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 56.87 57.99 16.81 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.439 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 49.5 p-80 -127.68 160.32 32.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.332 . . . . 0.0 110.893 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -129.8 -33.59 1.8 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 -165.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -114.92 -124.94 0.29 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.867 -165.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -129.93 113.87 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -166.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -125.52 110.99 14.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 173.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -99.35 -7.41 26.29 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -165.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 38.8 t 59.95 -118.66 0.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 82.1 m-70 66.64 66.52 0.45 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 -172.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 71.0 mtm -123.32 159.86 27.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -176.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 23.8 pt20 -109.98 176.68 4.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.953 -176.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.72 159.06 26.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -91.48 59.96 3.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.062 166.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 22.7 t 60.21 -120.13 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.85 -177.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 97.6 m95 -75.02 73.68 2.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.931 176.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 92.3 p -134.14 11.47 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.772 -177.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.406 ' HA ' ' HD3' ' A' 4410 ' ' PRO . 43.2 p30 -83.95 165.58 38.42 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.62 0.724 . . . . 0.0 110.896 -174.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' 4409 ' ' ASP . 14.9 Cg_exo -83.66 7.61 5.1 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.681 2.254 . . . . 0.0 112.405 -169.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . 0.532 ' O ' ' C ' ' A' 4412 ' ' GLU . 62.7 p -73.26 -170.88 0.85 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.141 -162.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . 0.532 ' C ' ' O ' ' A' 4411 ' ' THR . 7.2 pm0 -31.77 119.27 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -164.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -96.35 149.48 21.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.883 174.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.2 p -90.7 -108.26 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.097 -170.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . 0.442 ' N ' ' CD ' ' A' 4416 ' ' PRO . . . -54.12 -46.5 70.14 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.491 -160.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.442 ' CD ' ' N ' ' A' 4415 ' ' GLY . 18.9 Cg_exo -46.17 143.03 8.05 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.58 2.187 . . . . 0.0 112.349 -168.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.2 t -54.34 130.82 16.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 -166.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -90.74 -34.81 15.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.089 -176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -174.47 -164.68 29.77 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.465 -174.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 44.8 mm -105.77 140.07 24.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 111.08 -173.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.42 HD21 HD23 ' A' 4426 ' ' LEU . 2.8 tt -124.71 127.25 46.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.8 t0 -80.2 109.71 14.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.812 171.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 31.8 m -66.96 -23.58 65.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -171.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -59.96 -32.56 70.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.902 -178.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 4.6 p -141.56 10.05 2.04 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.111 -178.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 81.7 mt 54.93 45.07 27.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 87.3 mt-10 -88.43 99.0 11.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.968 177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -70.23 122.85 20.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 171.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . 0.473 HG23 ' HB2' ' A' 4434 ' ' ALA . 34.7 m -134.05 163.93 35.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.104 -178.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.8 p -69.83 163.99 24.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.3 mm -60.61 -42.35 91.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.054 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 55.0 m -67.16 -43.27 82.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.186 176.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -65.67 -39.33 91.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.923 -174.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.473 ' HB2' HG23 ' A' 4429 ' ' VAL . . . -62.59 -38.91 91.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.072 -178.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -67.85 -37.82 82.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 171.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -68.77 -33.86 74.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.789 -179.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -74.88 -77.25 0.12 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 -177.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.401 ' C ' HD22 ' A' 4438 ' ' ASN . 0.4 OUTLIER 170.17 24.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 96.1 mt -98.77 -50.14 4.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 -173.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 20.5 m -132.37 177.75 6.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.133 -171.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.3 t0 -107.76 169.86 8.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.772 175.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 42.9 t30 -60.8 -38.7 86.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.888 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.74 -41.23 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.141 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.8 m -63.65 -41.58 98.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.174 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.66 -39.51 97.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.431 174.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -62.33 -41.54 98.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.854 0.359 . . . . 0.0 110.956 -179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -64.42 -39.08 93.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.1 mt -69.73 -39.55 76.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 84.4 mt -65.94 -40.23 91.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.877 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -64.46 -39.4 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.881 175.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.11 -38.51 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.082 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -68.27 -39.47 82.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.949 175.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.23 -35.1 79.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 65.1 m -69.79 -22.67 63.31 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 77.9 p -91.62 -29.11 17.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 174.77 -115.13 0.53 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.457 174.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -90.71 178.55 42.59 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 170.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 51.7 mm -77.28 126.4 37.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.762 0.315 . . . . 0.0 111.156 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 45.8 mm -97.98 122.05 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.195 -166.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.423 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.5 t0 -85.62 120.82 73.28 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.537 0.684 . . . . 0.0 110.891 178.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 50.7 Cg_endo -63.63 106.26 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.653 2.235 . . . . 0.0 112.373 175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 30.0 t 174.98 -47.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -171.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.1 t -173.37 24.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 177.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.13 28.64 40.28 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.427 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -70.72 140.58 51.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.874 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -116.32 123.8 48.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.91 -175.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -130.94 137.15 30.12 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.637 0.732 . . . . 0.0 110.862 171.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 41.6 Cg_exo -51.48 144.96 30.37 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.763 2.308 . . . . 0.0 112.302 167.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 9.3 p -53.48 -36.37 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.146 -173.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 63.5 m -70.42 -38.56 74.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.098 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -71.01 -33.01 69.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.797 177.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.468 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -59.95 -31.51 69.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.125 -178.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 73.3 t -62.01 -35.88 70.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.078 172.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -68.24 -23.37 64.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -97.52 -19.98 18.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -178.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 94.32 19.58 32.5 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.484 179.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' 4477 ' ' LEU . 3.0 tt -90.04 -45.85 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 58.8 t -111.91 140.98 28.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.153 174.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 31.3 t0 -78.88 156.79 28.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -60.3 -35.14 74.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.912 -178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 33.3 pt -75.22 -13.55 15.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.097 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . 0.469 ' O ' HG12 ' A' 4486 ' ' ILE . 87.6 mtp -102.17 -4.93 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 -173.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 74.0 t -61.15 -49.92 82.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.187 -177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -68.34 -43.96 76.35 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.783 -174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -67.58 -35.05 78.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 -176.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' 4482 ' ' MET . 48.9 mm -80.28 -25.81 11.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 176.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -63.08 -33.57 75.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -174.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 51.8 tp -62.89 -39.01 93.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.899 179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.73 -36.06 77.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.085 175.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -65.1 -37.63 88.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 176.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.441 ' HB3' ' HA ' ' A' 4496 ' ' PHE . 51.3 mtmt -65.66 -35.48 80.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 176.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -63.6 -28.77 70.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.123 -172.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 78.8 t80 -65.81 -38.64 89.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.881 176.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 73.6 m -85.1 -7.1 59.24 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.985 -171.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.469 ' O ' ' HB3' ' A' 4496 ' ' PHE . . . 96.71 30.11 7.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -167.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.469 ' HB3' ' O ' ' A' 4495 ' ' GLY . 39.4 t80 71.78 -75.05 0.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.894 0.378 . . . . 0.0 110.834 -171.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 79.1 tt0 43.54 60.36 2.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 171.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 46.4 p30 -75.88 167.08 39.89 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.517 0.675 . . . . 0.0 110.919 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.475 ' O ' ' HB2' ' A' 4500 ' ' ARG . 36.8 Cg_exo -60.75 -179.87 0.31 Allowed 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.759 2.306 . . . . 0.0 112.346 179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' 4499 ' ' PRO . 98.5 mtt180 77.13 -48.15 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 -39.79 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -171.767 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.5 mmmt 46.2 80.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 174.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.9 t -133.19 160.7 36.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -93.35 127.2 38.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.873 -170.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 40.1 mtm -138.76 150.05 45.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.966 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 11.0 t -67.58 128.93 38.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.905 167.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -59.34 -38.28 79.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.085 177.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.474 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -67.59 -40.06 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 178.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -68.16 -30.7 69.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.855 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.591 ' HB1' ' HB2' ' A' 4515 ' ' TRP . . . -57.0 -33.99 67.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.072 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.494 HD21 ' HA3' ' A' 4521 ' ' GLY . 2.9 mm? -65.34 -37.86 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.827 177.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 65.0 mmtt -72.08 -28.48 63.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.912 -174.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 99.8 mttt -103.45 -20.16 14.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.915 -172.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 103.05 25.92 7.27 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.543 170.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.591 ' HB2' ' HB1' ' A' 4510 ' ' ALA . 57.7 m95 -80.01 -44.08 20.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.774 0.321 . . . . 0.0 110.964 174.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 2.6 mp -110.14 158.85 17.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.985 166.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 34.5 p90 -104.12 160.03 15.19 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 177.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 88.8 t80 -55.17 -43.49 74.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.925 -163.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -62.15 -38.64 89.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -174.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.5 -53.7 6.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.494 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.07 -42.29 99.61 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 -174.336 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -63.49 -40.35 96.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.785 0.326 . . . . 0.0 110.919 -175.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 33.3 ttp-105 -67.37 -42.07 84.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 177.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -70.23 -35.58 73.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.835 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.544 ' HB3' HD11 ' A' 4562 ' ' LEU . 94.5 mt -70.31 -40.23 74.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -67.55 -38.34 83.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.909 -175.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.4 t -62.65 -41.14 91.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -67.06 -37.48 84.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.833 172.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.3 t80 -63.44 -38.69 92.13 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.938 179.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.3 mt -63.43 -30.05 71.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.935 -175.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 63.8 p -89.19 -48.52 7.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.126 -178.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.96 -95.08 0.11 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.57 176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -126.51 -165.0 11.88 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.487 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 67.5 mt -90.75 131.97 36.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.793 0.33 . . . . 0.0 110.865 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 92.3 mt -87.07 123.87 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.069 -173.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -128.98 145.97 58.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.665 0.745 . . . . 0.0 110.815 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.561 ' O ' ' HB2' ' A' 4538 ' ' ASP . 57.7 Cg_endo -68.38 171.58 12.65 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.664 2.243 . . . . 0.0 112.41 173.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.561 ' HB2' ' O ' ' A' 4537 ' ' PRO . 64.0 m-20 75.39 -54.99 0.64 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.904 -176.456 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 66.8 p -65.44 150.11 96.29 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.668 0.747 . . . . 0.0 111.085 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -64.24 -24.46 65.35 Favored 'Trans proline' 0 C--N 1.343 0.238 0 C-N-CA 122.654 2.236 . . . . 0.0 112.377 -179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -148.01 -134.27 2.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.543 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 -119.64 150.61 40.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 94.2 t -105.86 123.77 38.18 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.657 0.741 . . . . 0.0 111.089 -172.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -54.35 147.2 47.48 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.726 2.284 . . . . 0.0 112.378 174.034 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.1 tp -57.4 -42.21 81.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.939 -177.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -64.44 -38.47 91.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 178.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -71.41 -33.98 69.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . 0.463 ' HB1' HG23 ' A' 4553 ' ' THR . . . -62.03 -35.13 77.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 176.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.445 HD21 ' HB2' ' A' 4559 ' ' ALA . 35.2 mt -64.86 -47.1 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -74.1 -23.9 59.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 90.0 mtt-85 -76.0 -21.15 57.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.808 174.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 82.45 24.47 53.88 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 175.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.463 HG23 ' HB1' ' A' 4548 ' ' ALA . 1.8 t -97.56 -22.11 16.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.825 0.345 . . . . 0.0 111.249 177.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.474 HG12 ' HB1' ' A' 4508 ' ' ALA . 23.5 m -128.1 151.69 35.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.14 169.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.6 p30 -100.76 179.97 4.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 173.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.33 -38.22 88.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 -178.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.54 -39.94 95.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -178.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.6 m -70.8 -40.27 72.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.176 176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.445 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -65.01 -42.02 94.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.076 -173.216 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -67.68 -32.12 72.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 178.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.9 mttt -67.2 -36.25 81.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.992 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.544 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.3 mm? -72.21 -33.25 67.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 173.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -72.29 -25.9 61.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 53.3 t0 -99.54 69.48 1.64 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.6 m -67.1 -23.81 31.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.151 174.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.08 -14.88 71.47 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -177.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -64.68 -28.59 69.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.724 0.297 . . . . 0.0 111.079 178.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.6 t80 -72.87 140.17 47.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 31.0 t -63.43 139.17 58.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -172.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 97.2 mttt -70.01 162.27 28.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.93 167.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 30.8 p90 -175.03 -24.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.886 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 46.8 mt -77.34 130.47 37.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.908 -177.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . 0.423 ' HA ' ' O ' ' A' 4579 ' ' LEU . 97.3 m -111.29 128.61 56.0 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 -177.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.452 ' SG ' HD11 ' A' 4581 ' ' ILE . 93.3 m -108.36 163.32 17.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.649 0.738 . . . . 0.0 110.901 173.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -80.02 67.65 8.55 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.629 2.219 . . . . 0.0 112.333 -178.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -165.59 168.91 15.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -178.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 79.8 m -50.52 -34.82 26.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -84.42 75.7 10.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' 4573 ' ' THR . 66.6 mt -74.35 -70.99 0.36 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.997 -168.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -80.12 109.96 15.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.82 -174.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.452 HD11 ' SG ' ' A' 4574 ' ' CYS . 49.7 pt -132.93 166.36 29.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.152 -174.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.7 p -75.06 170.98 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 178.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.6 t80 -64.98 -38.74 91.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.953 175.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.8 tttt -64.26 -40.59 96.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 178.169 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -65.43 -38.78 90.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 174.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.77 -38.13 89.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.3 mt -67.24 -38.11 84.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.937 179.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -70.92 -30.02 66.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 81.2 mtt85 -102.51 3.48 37.58 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.826 -173.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.4 p -73.29 155.53 39.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 18.4 tmm? -110.05 128.11 55.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -178.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 90.0 t -91.26 126.57 43.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -84.96 105.18 15.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.924 -177.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 65.07 -174.98 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 177.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -84.09 55.24 5.0 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.486 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 65.3 p -115.41 -16.2 11.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.783 0.325 . . . . 0.0 111.182 -176.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.99 36.76 45.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.566 -178.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 73.3 mt -114.96 105.27 12.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -76.36 132.38 39.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.834 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 57.0 mt -114.99 138.61 50.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.973 172.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.0 tp -87.36 122.79 31.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -78.62 134.95 37.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.882 -172.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -141.96 155.78 45.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.094 172.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.473 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -124.98 24.96 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.063 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.83 -83.03 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.052 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.164 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.8 mtp . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.823 0.344 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 68.69 -129.2 24.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.429 -170.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 32.4 p80 -175.69 143.47 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.812 0.339 . . . . 0.0 110.843 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 14.0 p-80 -177.58 165.98 2.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.814 -161.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.401 ' CE1' ' HB2' ' A' 4492 ' ' ALA . 60.3 t-80 -168.3 145.2 3.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.77 166.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.58 ' HA ' ' HA ' ' A' 4454 ' ' CYS . 75.8 t60 -76.39 157.72 32.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.773 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . 0.463 ' CE1' ' HB3' ' A' 4454 ' ' CYS . 2.4 p-80 -140.01 140.07 36.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 165.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.407 ' O ' HG22 ' A' 4535 ' ' ILE . 17.9 m-70 -54.83 119.91 6.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 -174.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 47.1 t -128.02 92.54 3.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.896 -176.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -123.07 106.29 10.68 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.821 -176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 97.0 mtp -84.82 64.79 8.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -174.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -169.93 132.1 1.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 60.3 tp -142.38 110.86 6.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.953 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 61.67 19.63 10.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.095 179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 31.2 t -177.36 144.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -178.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 46.5 m0 -85.04 64.88 8.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.86 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 34.4 t -172.16 152.11 2.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.905 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.0 t0 -143.88 81.0 12.16 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.601 0.715 . . . . 0.0 110.904 178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -81.77 66.99 8.43 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.662 2.241 . . . . 0.0 112.332 -177.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -125.0 -77.83 0.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -159.15 160.11 35.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.915 -177.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -109.68 93.11 4.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.877 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 61.1 p -124.11 177.25 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.104 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 168.26 -176.95 42.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -81.85 178.57 6.37 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.386 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.484 ' HA ' ' HB2' ' A' 4599 ' ' ARG . 85.2 t -68.68 126.31 28.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.156 172.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.76 -37.58 12.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.123 -176.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -158.48 -170.59 23.31 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.479 -171.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.55 140.27 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.907 0.384 . . . . 0.0 111.059 -171.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 6.8 tt -124.56 125.55 44.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.931 174.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.4 t0 -81.22 112.1 18.24 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.843 174.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 74.6 m -64.98 -25.07 67.71 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -174.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -55.35 -40.21 70.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.2 p -139.14 10.64 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.169 -178.38 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' 4422 ' ' ASP . 6.2 mp 54.92 61.8 2.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.889 -178.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -104.18 115.59 30.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -77.4 120.17 22.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.97 175.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.5 m -132.04 157.58 43.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.097 177.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 85.7 p -77.61 168.47 19.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.778 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.9 mm -62.61 -40.45 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.135 175.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 70.9 m -64.77 -44.23 90.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.166 177.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.9 -37.32 85.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 178.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.01 -42.36 94.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.111 179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 76.3 mtm -67.08 -29.4 69.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.781 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.482 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.7 t60 -60.9 -40.04 91.63 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -168.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.482 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 172.32 41.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 172.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 57.9 t30 -91.36 -57.21 2.85 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.849 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 2.0 pp -177.03 -27.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -85.77 147.04 5.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.1 -176.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -99.89 -170.64 1.92 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 172.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -58.08 -42.9 86.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 176.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.8 mm -71.07 -43.14 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.071 -174.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 99.0 m -64.59 -44.1 91.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.128 179.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -64.86 -38.95 96.18 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.5 172.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -62.49 -46.16 89.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.855 0.36 . . . . 0.0 110.948 -176.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -64.8 -35.32 80.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -172.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 96.2 mt -67.83 -39.63 83.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.886 173.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.06 -33.34 75.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.915 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.95 -40.45 95.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.872 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.01 -35.27 80.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.029 176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -69.98 -41.51 74.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -63.51 -38.72 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . 0.58 ' HA ' ' HA ' ' A' 4397 ' ' HIS . 70.1 m -56.09 -50.41 71.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.82 170.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 74.6 p -79.53 68.38 5.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.112 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 75.52 -113.79 4.04 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.548 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -104.4 -179.89 24.8 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.536 -179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 50.5 mm -75.73 134.42 29.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 111.076 176.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 86.3 mt -108.09 120.35 59.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.076 -164.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.442 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 67.8 t0 -85.09 120.65 73.73 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.728 . . . . 0.0 110.83 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.485 ' HA ' HD12 ' A' 4598 ' ' LEU . 30.3 Cg_endo -59.92 110.45 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.701 2.268 . . . . 0.0 112.267 177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 40.4 t -176.76 -55.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -174.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.0 t -173.37 25.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.145 -170.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 85.29 40.47 7.89 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.51 176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -71.6 153.26 42.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.906 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -129.03 124.37 34.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.936 175.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . 0.427 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 95.2 m-85 -131.95 136.84 28.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.587 0.708 . . . . 0.0 110.882 175.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 32.4 Cg_exo -54.93 153.98 23.33 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.615 2.21 . . . . 0.0 112.334 169.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.78 -46.54 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 -175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 53.0 m -65.35 -37.09 86.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.142 -179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -70.43 -35.67 73.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.92 176.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -61.63 -33.67 74.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 175.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.406 HG21 ' CG2' ' A' 4483 ' ' VAL . 74.2 t -66.89 -39.18 82.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.095 171.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -70.21 -33.71 72.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.831 -171.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.514 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -162.05 48.75 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -145.14 -125.23 1.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.564 -178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.788 ' CD2' ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -140.95 40.45 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.831 0.348 . . . . 0.0 110.938 -168.386 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 85.6 t -131.02 139.54 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.113 176.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -80.33 147.3 31.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.7 mtmt -59.43 -35.3 73.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 176.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 19.1 pt -74.46 -10.63 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.106 -172.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 54.0 mtt -96.16 -11.27 26.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.913 -178.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.406 ' CG2' HG21 ' A' 4473 ' ' VAL . 88.3 t -63.99 -41.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.137 -172.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -64.15 -43.15 96.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -172.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.5 ttm-85 -70.32 -41.46 73.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.877 176.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' 4486 ' ' ILE . 96.4 mt -74.99 -14.9 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.221 -178.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -62.81 -28.22 69.86 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.912 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.428 HD12 ' HE3' ' A' 4491 ' ' LYS . 20.1 tp -65.03 -34.89 79.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.889 172.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB1' ' HB2' ' A' 4397 ' ' HIS . . . -68.11 -36.53 79.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 171.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -65.3 -39.3 92.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.913 175.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' 4495 ' ' GLY . 43.4 mtmt -67.99 -33.58 74.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -177.285 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . 0.517 ' HB3' ' HB3' ' A' 4397 ' ' HIS . . . -65.09 -33.44 76.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 178.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 88.3 t80 -76.72 -45.62 28.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.86 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 20.3 p -147.08 55.31 1.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' 4491 ' ' LYS . . . -145.08 -56.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -75.68 67.92 2.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -159.88 119.94 2.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 172.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -64.79 140.68 98.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.854 -176.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 97.2 Cg_endo -76.08 64.59 6.98 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.617 2.211 . . . . 0.0 112.422 176.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -166.77 -54.95 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 70.3 p -78.04 -34.69 50.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.104 173.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 32.0 mmmt 49.62 44.84 24.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 13.1 t -95.25 -171.66 2.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 92.9 mttt -130.64 90.24 2.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 -173.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 39.0 mtt -77.79 150.09 34.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 -179.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 24.4 p -86.5 157.05 19.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.792 162.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.15 -39.07 88.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.133 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.51 -37.2 84.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 -64.96 -31.95 73.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 178.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -57.29 -33.36 67.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.172 -178.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.19 -37.89 88.76 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 175.618 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -72.57 -27.12 61.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.93 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -79.52 -29.97 41.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.88 178.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 85.92 15.16 65.78 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.453 177.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 23.3 m0 -80.01 -61.02 2.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.793 0.33 . . . . 0.0 110.868 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 11.7 tp -68.86 167.0 16.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.907 168.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 28.9 p90 -109.21 159.95 16.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -59.11 -42.46 90.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -167.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.06 -36.35 79.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.874 -174.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.0 -28.75 43.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.144 171.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.482 ' HA2' ' CE2' ' A' 4524 ' ' PHE . . . -58.68 -40.65 95.08 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 -178.426 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 64.2 mm-40 -64.91 -31.55 72.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.755 0.312 . . . . 0.0 110.868 179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 97.7 mtt180 -63.16 -45.84 89.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -159.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . 0.482 ' CE2' ' HA2' ' A' 4521 ' ' GLY . 30.1 p90 -76.97 -26.22 53.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -178.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.516 ' HA ' HE21 ' A' 4528 ' ' GLN . 84.5 mt -64.76 -36.46 84.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.87 -175.551 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . 0.431 ' HG2' HG11 ' A' 4565 ' ' VAL . 99.5 mt-10 -65.51 -44.2 87.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.888 -172.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.6 t -74.9 -47.25 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.119 -164.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.516 HE21 ' HA ' ' A' 4525 ' ' LEU . 13.2 pt20 -67.99 -33.9 75.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.943 -174.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.489 ' HB2' HD12 ' A' 4562 ' ' LEU . 70.2 t80 -61.31 -37.46 83.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 177.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.46 -28.82 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.019 -178.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 53.2 p -89.11 -30.11 18.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -178.38 -75.04 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.47 173.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -142.68 -144.87 4.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.515 -177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 44.6 mt -97.84 138.16 35.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.756 0.312 . . . . 0.0 110.922 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . 0.407 HG22 ' O ' ' A' 4399 ' ' HIS . 99.1 mt -97.17 133.56 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.166 179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.452 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 8.5 pt-20 -131.01 159.02 73.44 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 -179.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.452 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 42.2 Cg_endo -69.36 -22.36 34.03 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.422 -177.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -84.3 -75.48 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -175.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.2 m -57.03 122.7 55.14 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.585 0.707 . . . . 0.0 111.139 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 92.1 Cg_endo -75.01 67.34 5.95 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 160.51 -147.16 13.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.406 -174.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -105.74 145.03 31.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.804 0.335 . . . . 0.0 110.934 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 84.9 t -111.78 125.46 30.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.658 0.742 . . . . 0.0 111.083 174.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -53.75 142.68 61.43 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 177.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 49.9 tp -57.69 -39.9 78.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.68 -37.1 86.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.833 179.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . 0.448 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 73.8 tt0 -70.58 -35.11 72.87 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 176.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.17 -35.09 77.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 31.6 mt -65.76 -46.85 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.972 179.139 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . 0.448 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 9.8 pt20 -73.08 -25.67 60.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -177.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -78.83 -22.0 46.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 174.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 95.26 -19.0 56.3 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.515 171.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 4.8 t -48.07 -32.8 7.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.872 0.368 . . . . 0.0 111.157 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 15.4 m -124.6 147.96 29.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.097 172.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 54.1 p30 -98.52 179.65 4.63 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.848 174.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.48 97.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.054 -173.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -64.07 -39.37 93.93 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 90.0 m -69.56 -40.02 77.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 178.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -67.28 -42.62 83.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.125 -173.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -65.39 -31.54 72.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.919 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 86.6 mttt -67.25 -34.61 77.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.1 mm? -66.17 -34.81 78.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 175.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -71.79 -18.07 62.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.945 -177.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -77.31 -38.89 49.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.932 -176.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . 0.431 HG11 ' HG2' ' A' 4526 ' ' GLU . 3.5 m -66.79 -26.57 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.079 -169.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -76.52 -18.1 79.37 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.492 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.5 -51.69 6.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.769 0.318 . . . . 0.0 111.153 -176.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 69.6 t80 -78.99 128.18 32.93 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 -173.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . 0.674 ' O ' ' CB ' ' A' 4570 ' ' LYS . 40.3 t -73.42 138.95 45.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.674 ' CB ' ' O ' ' A' 4569 ' ' SER . 79.2 tttt 147.13 94.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.844 172.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.9 t80 -144.93 -53.47 0.3 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.853 173.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.635 HD12 ' HB2' ' A' 4586 ' ' ALA . 82.7 mt -100.84 137.67 38.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.816 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.6 m -112.39 126.8 55.68 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.159 173.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.487 ' HB2' ' H ' ' A' 4579 ' ' LEU . 70.1 m -112.17 165.26 13.32 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.568 0.699 . . . . 0.0 110.836 175.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.18 -69.39 0.06 OUTLIER 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.718 2.278 . . . . 0.0 112.332 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 88.9 tttt -165.03 94.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 173.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.3 t -179.57 -30.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.158 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.9 mttt -132.75 -44.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 177.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.487 ' H ' ' HB2' ' A' 4574 ' ' CYS . 83.1 mt 64.94 -105.06 0.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.966 166.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -86.51 89.55 7.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 44.4 pt -130.36 152.73 37.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.097 178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 60.6 p -84.24 171.06 13.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.852 177.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.7 OUTLIER -64.78 -34.96 79.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.864 171.3 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 68.6 mttm -63.34 -36.56 84.1 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 176.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -63.46 -40.68 97.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.915 175.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . 0.635 ' HB2' HD12 ' A' 4572 ' ' LEU . . . -66.93 -40.42 87.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.108 177.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' 4583 ' ' TYR . 82.5 mt -65.18 -31.46 72.65 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.894 -172.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -69.64 -30.74 68.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 174.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 19.5 mmm180 -102.72 -6.32 22.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.8 -174.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' 4586 ' ' ALA . 82.3 p -57.65 126.67 28.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.922 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.6 tpp -98.8 120.45 39.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -175.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 80.2 t -113.93 128.27 70.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -70.5 146.21 50.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.91 175.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.3 tt0 -44.23 -55.47 4.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -174.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -82.21 -64.24 1.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.547 -174.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 75.6 p -127.22 -112.95 0.28 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.834 0.35 . . . . 0.0 111.109 173.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 74.5 -19.71 1.86 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.506 -178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' 4461 ' ' PRO . 78.4 mt 47.19 -165.36 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.798 0.332 . . . . 0.0 110.908 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.484 ' HB2' ' HA ' ' A' 4417 ' ' VAL . 87.0 mtt-85 -79.45 122.93 27.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 178.293 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.2 mt -109.67 135.58 50.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.866 173.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 67.5 tp -86.42 122.89 31.02 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -77.82 128.26 33.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 -176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -144.81 153.81 42.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.115 171.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -92.45 -4.69 53.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 -177.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.14 46.6 23.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . 0.436 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 32.4 tt0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 97.8 mtp . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.627 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 23.56 -113.41 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.533 -148.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.627 ' C ' ' O ' ' A' 4393 ' ' GLY . 73.7 m80 13.13 89.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.79 161.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 22.6 t-160 -108.16 -101.83 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 165.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 71.73 141.55 0.05 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 165.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 35.2 p80 -175.96 15.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.842 166.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 7.5 p80 -164.08 -141.06 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -170.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 18.5 t-160 -66.7 -53.2 36.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 68.3 m 59.82 66.34 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.835 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -153.54 134.95 14.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.874 -168.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . 0.427 ' HB2' HG21 ' A' 4527 ' ' VAL . 36.7 mmt -66.58 158.86 28.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . 0.684 ' O ' ' HB2' ' A' 4451 ' ' ALA . 30.8 tt0 -147.34 73.53 1.29 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -173.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.611 HD13 ' HB1' ' A' 4451 ' ' ALA . 43.4 tp -132.32 145.22 51.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -134.11 15.39 3.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -176.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . 0.417 ' H ' ' HG ' ' A' 4404 ' ' LEU . 90.7 p -163.43 148.44 11.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 175.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . 0.511 ' HB2' ' HB ' ' A' 4531 ' ' THR . 54.5 t90 -118.86 -91.08 0.56 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.951 172.415 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . 0.454 ' HB3' ' HD3' ' A' 4410 ' ' PRO . 50.1 m 53.39 165.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.816 -170.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.585 ' N ' ' CD ' ' A' 4410 ' ' PRO . 56.9 p-10 -139.47 44.22 0.73 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.612 0.72 . . . . 0.0 110.865 -171.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.585 ' CD ' ' N ' ' A' 4409 ' ' ASP . 90.5 Cg_endo -71.08 158.2 55.74 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.647 2.232 . . . . 0.0 112.396 174.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 74.8 p -130.26 15.57 5.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 178.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 92.5 mt-10 -128.21 -65.86 0.88 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.899 -178.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -119.6 77.8 1.26 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . 0.438 ' HA ' ' HG2' ' A' 4410 ' ' PRO . 55.2 p -76.31 164.86 25.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 -161.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -102.54 -61.99 0.72 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.624 -0.798 . . . . 0.0 112.512 -166.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 98.5 Cg_exo -53.69 149.56 31.89 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.713 2.275 . . . . 0.0 112.411 -171.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 95.6 t -59.31 120.77 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.097 -177.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.55 -30.04 13.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.093 -173.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.81 -170.04 23.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.545 -170.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 48.8 mm -112.82 140.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.881 0.372 . . . . 0.0 111.151 -174.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 5.2 tt -118.98 125.53 49.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 175.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.573 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -84.24 113.14 20.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 171.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 46.2 p -71.61 -7.61 48.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 -172.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -71.07 -29.74 65.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.013 0.435 . . . . 0.0 110.99 174.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . 0.425 HG23 ' HB2' ' A' 4427 ' ' GLU . 8.9 t -143.38 -1.81 1.02 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -174.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.573 ' N ' ' O ' ' A' 4422 ' ' ASP . 10.7 mp 55.06 43.9 28.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . 0.425 ' HB2' HG23 ' A' 4425 ' ' THR . 88.8 tt0 -88.02 111.29 21.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.812 -179.395 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 84.7 tttt -70.96 118.4 13.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.988 176.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.6 m -131.27 157.63 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 171.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 78.5 p -73.07 166.78 22.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.817 177.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 47.3 mm -59.74 -40.44 82.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.081 175.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 88.3 m -65.53 -44.03 88.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.211 176.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -66.98 -37.31 84.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.77 95.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.079 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.1 mtm -65.33 -30.82 71.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.877 177.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.571 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.4 t60 -61.82 -39.24 91.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -173.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.571 ' HB3' ' O ' ' A' 4436 ' ' HIS . 16.8 ptp180 162.8 55.11 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 173.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.41 ' O ' ' HB3' ' A' 4439 ' ' LEU . 44.6 t30 -99.38 -50.64 4.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.929 176.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.41 ' HB3' ' O ' ' A' 4438 ' ' ASN . 4.4 pp -178.92 -26.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.941 174.559 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.1 m -78.53 159.04 4.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.15 -174.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 20.0 t0 -85.26 170.0 13.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.842 172.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.6 t30 -57.33 -40.35 77.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 175.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 43.5 mm -71.96 -41.35 68.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.169 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 89.9 m -63.83 -44.48 93.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.131 -175.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.7 94.17 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 169.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -61.39 -32.62 72.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.993 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 81.9 mtt-85 -63.71 -45.99 87.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -173.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . 0.529 ' O ' ' HB3' ' A' 4451 ' ' ALA . 82.5 mt -69.73 -32.06 70.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.882 174.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 54.7 tp -65.17 -38.36 90.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . 0.403 ' HB3' ' HA ' ' A' 4402 ' ' MET . 51.9 mt-10 -63.99 -34.32 77.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.853 172.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . 0.684 ' HB2' ' O ' ' A' 4403 ' ' GLN . . . -58.58 -36.83 74.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.08 172.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . 0.429 ' HB3' ' H ' ' A' 4459 ' ' ILE . 91.5 mt-30 -71.34 -32.53 68.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 173.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.52 91.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.029 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' 4451 ' ' ALA . 15.1 p -80.33 3.16 21.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 -174.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 55.0 p -106.48 34.07 3.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.198 165.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 83.42 -109.32 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.467 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . 0.449 ' H ' ' HD2' ' A' 4466 ' ' ARG . . . -79.48 169.35 53.54 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 178.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.15 130.67 35.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.829 0.347 . . . . 0.0 111.083 -178.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.429 ' H ' ' HB3' ' A' 4452 ' ' GLN . 90.2 mt -91.44 128.31 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.113 -171.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.1 t0 -82.65 116.55 64.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 110.861 178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.411 ' O ' ' HB2' ' A' 4462 ' ' SER . 54.7 Cg_exo -54.89 108.41 0.3 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.669 2.246 . . . . 0.0 112.374 178.127 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . 0.411 ' HB2' ' O ' ' A' 4461 ' ' PRO . 39.2 t 175.3 -48.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.023 0.439 . . . . 0.0 110.846 -174.038 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.6 t -174.87 25.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 83.53 22.43 56.28 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.533 169.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -71.42 135.28 47.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.916 0.389 . . . . 0.0 110.898 175.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . 0.449 ' HD2' ' H ' ' A' 4457 ' ' GLY . 42.3 ttp180 -109.18 128.22 54.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.833 -173.06 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -133.31 152.07 78.72 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.579 0.704 . . . . 0.0 110.815 178.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.94 138.3 77.68 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.713 2.275 . . . . 0.0 112.301 175.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 13.4 p -58.83 -37.97 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.074 -178.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.2 m -67.68 -38.05 83.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 -176.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -70.78 -37.36 73.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 178.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.1 -33.25 74.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.127 -176.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.416 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.1 t -63.97 -34.61 69.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.115 -177.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -65.78 -34.13 77.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.884 -166.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.4 tttt -163.75 51.03 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.938 177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -155.11 -110.95 0.38 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.6 mt -109.25 -29.84 8.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -147.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 81.8 t -121.88 139.92 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -156.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -76.56 150.14 36.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 175.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.4 mtmt -58.04 -33.79 69.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.954 178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.9 pt -72.19 -12.46 15.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.138 -175.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.9 mtt -99.57 -6.08 28.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 -176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.416 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.8 t -64.05 -51.3 70.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.13 -176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -67.51 -36.89 81.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 29.0 ttm105 -63.98 -43.09 96.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.922 175.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 76.3 mt -82.71 -22.12 9.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 -174.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -62.08 -34.59 76.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.922 -170.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 47.5 tp -63.76 -43.29 96.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 -176.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.14 -38.07 81.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.151 -177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -69.85 -48.52 58.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 62.4 pttt -73.55 -34.1 65.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.857 -175.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.21 72.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.068 -170.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' 4493 ' ' PHE . 3.9 m-30 -82.02 -36.98 27.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 -179.051 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 53.5 t -157.76 107.14 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 175.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 127.86 -2.93 6.93 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.433 171.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 1.1 t80 -79.6 100.19 7.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.951 173.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -144.73 150.22 36.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 -172.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.44 149.06 71.41 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.679 0.752 . . . . 0.0 110.852 177.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -78.39 45.03 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.258 0 C-N-CA 122.641 2.227 . . . . 0.0 112.353 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 91.0 mmt-85 -136.39 -44.46 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -177.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 33.4 p -134.38 -7.94 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.181 -178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . 0.544 ' HD2' ' N ' ' A' 4502 ' ' LYS . 10.2 mptt 55.65 31.26 16.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 177.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.9 t -54.59 147.51 14.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 170.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.6 mttt -124.13 155.64 38.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -176.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 10.5 ptp -167.73 149.22 5.46 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.807 -173.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 60.3 p -79.77 178.2 8.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 172.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.434 ' HB2' ' CE1' ' A' 4493 ' ' PHE . . . -62.43 -42.65 99.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.181 172.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.69 -40.3 84.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.135 179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.48 ' HG3' ' OG1' ' A' 4553 ' ' THR . 79.1 mt-30 -70.36 -31.69 69.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.915 174.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.89 -33.44 73.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 176.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.498 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -64.71 -37.91 89.18 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.981 173.614 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -71.16 -26.89 63.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.921 176.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -90.44 -21.27 21.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.969 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.92 19.84 58.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.419 177.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 18.9 m0 -82.8 -63.06 1.44 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.827 0.346 . . . . 0.0 110.845 -178.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.458 HD23 ' HA2' ' A' 4521 ' ' GLY . 6.0 mp -78.08 167.85 20.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 168.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -103.23 176.33 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.938 -174.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 57.5 t80 -57.15 -41.16 78.64 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 152.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -63.9 -46.63 83.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -176.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -90.08 -61.47 1.68 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 178.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.458 ' HA2' HD23 ' A' 4516 ' ' LEU . . . -67.85 -49.84 45.77 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -166.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -64.84 -37.6 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 37.1 mmt180 -65.73 -33.95 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 177.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 19.6 m-30 -66.85 -36.93 83.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.838 175.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.622 ' HB3' HD11 ' A' 4562 ' ' LEU . 88.5 mt -67.5 -35.15 78.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -61.69 -37.79 85.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.938 -174.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' 4404 ' ' LEU . 23.8 t -69.2 -40.78 80.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.145 171.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.527 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 69.9 mt-30 -62.4 -35.05 78.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.985 -174.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.634 ' HB2' HD12 ' A' 4562 ' ' LEU . 81.2 t80 -62.29 -41.56 98.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.908 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 67.1 mt -64.12 -27.76 69.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 -172.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . 0.511 ' HB ' ' HB2' ' A' 4407 ' ' TRP . 50.5 p -74.32 -6.96 51.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.122 -174.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 104.44 35.28 3.37 Favored Glycine 0 N--CA 1.453 -0.219 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.444 179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 123.72 146.75 7.1 Favored Glycine 0 N--CA 1.452 -0.245 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.424 -173.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.527 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 78.5 mt -64.58 158.94 22.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.814 0.34 . . . . 0.0 110.913 -168.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 35.0 mm -93.59 112.99 27.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.186 -179.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' 4539 ' ' THR . 88.8 mt-10 44.97 55.19 13.85 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.665 0.745 . . . . 0.0 110.835 176.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.453 ' CG ' ' HB ' ' A' 4543 ' ' VAL . 73.8 Cg_endo -78.52 -8.45 16.02 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.595 2.197 . . . . 0.0 112.324 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 33.8 t70 -174.97 -25.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.549 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.9 p -122.6 163.28 33.61 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 0.0 111.075 177.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.549 ' HD2' ' HB ' ' A' 4539 ' ' THR . 77.5 Cg_endo -74.36 65.42 5.45 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.663 2.242 . . . . 0.0 112.313 175.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 173.51 -161.06 31.66 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.475 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 56.4 ttp180 -96.65 130.15 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.329 . . . . 0.0 110.83 179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . 0.453 ' HB ' ' CG ' ' A' 4537 ' ' PRO . 88.0 t -125.81 126.29 24.89 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.622 0.725 . . . . 0.0 111.119 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 55.3 Cg_exo -55.62 151.22 39.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.716 2.277 . . . . 0.0 112.318 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.7 tp -57.27 -40.32 77.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.837 177.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.19 -39.71 95.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -178.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . 0.42 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 36.3 tt0 -72.34 -33.52 67.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 177.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.31 -34.95 76.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.067 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' 4559 ' ' ALA . 33.4 mt -66.17 -47.18 74.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.903 179.031 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.0 pt20 -72.87 -23.23 60.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -75.17 -20.63 59.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.962 174.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.26 -1.09 89.15 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.505 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.48 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 10.1 t -71.86 -22.65 61.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.067 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.402 HG13 HG23 ' A' 4553 ' ' THR . 24.6 m -130.65 157.89 43.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.083 164.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.39 -179.55 3.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.794 172.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.99 -41.31 96.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 -177.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -63.56 -40.12 96.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 -177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 79.7 m -72.68 -40.06 66.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.144 176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' 4549 ' ' LEU . . . -64.81 -39.59 93.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.072 -169.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -65.83 -31.91 73.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -33.31 75.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 176.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.634 HD12 ' HB2' ' A' 4529 ' ' TYR . 2.3 mm? -65.61 -36.27 83.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 175.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -77.11 -22.57 52.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.866 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 88.2 m-20 -65.17 -23.03 66.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -170.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 11.7 m -63.01 -25.18 37.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -72.42 -15.09 77.2 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -176.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -67.71 -58.95 3.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.312 . . . . 0.0 111.052 -176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.4 m-85 -91.24 125.55 36.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -170.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . 0.502 ' O ' ' HB2' ' A' 4570 ' ' LYS . 43.6 t -84.77 97.28 9.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.812 173.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.502 ' HB2' ' O ' ' A' 4569 ' ' SER . 80.8 tttt 170.18 127.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 173.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.5 ' CG ' ' O ' ' A' 4570 ' ' LYS . 57.7 m-85 -167.62 -28.31 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 -172.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.07 140.71 52.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.857 173.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 93.9 m -113.36 124.61 52.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 168.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.421 ' HA ' ' HD3' ' A' 4575 ' ' PRO . 81.0 m -94.78 140.83 22.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.668 0.747 . . . . 0.0 110.873 -175.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.507 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.8 Cg_exo -56.72 116.67 3.37 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.711 2.274 . . . . 0.0 112.334 -176.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' 4575 ' ' PRO . 86.9 tttt 174.97 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.928 173.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 88.5 m -153.9 -74.66 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.184 172.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.7 mttt -144.33 80.59 1.64 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.908 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.9 mp -107.57 80.35 1.39 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -174.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 95.0 mttt -87.27 106.61 18.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -174.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 46.7 pt -126.45 155.41 36.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 -172.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . 0.406 ' HB3' ' HA ' ' A' 4569 ' ' SER . 96.1 p -81.92 173.98 11.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 178.218 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.477 ' OH ' ' HA ' ' A' 4403 ' ' GLN . 23.1 m-85 -64.4 -39.94 94.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 173.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.17 -39.11 91.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -65.54 -39.52 91.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 172.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.19 -37.04 86.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -177.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' 4583 ' ' TYR . 69.1 mt -71.41 -31.02 66.76 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 176.521 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -69.98 -28.45 65.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 40.1 mmt180 -96.06 2.01 52.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -174.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.2 p -84.64 152.77 23.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.881 171.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.0 ttm -120.52 124.84 46.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -175.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 92.2 t -103.52 133.46 47.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.061 168.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.91 -66.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.888 177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -144.97 -64.99 0.34 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 176.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -142.88 -60.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 70.2 p -87.64 10.42 18.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.753 0.311 . . . . 0.0 111.121 178.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' 4598 ' ' LEU . . . -75.76 -17.97 79.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.474 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' 4597 ' ' GLY . 0.7 OUTLIER 64.67 154.99 0.07 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.816 0.341 . . . . 0.0 110.925 179.776 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 87.2 mtt-85 -72.41 128.02 34.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 51.8 mt -114.52 140.26 48.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 174.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 52.5 tp -80.5 121.38 25.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 48.4 mt-10 -78.66 128.9 34.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 -173.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -151.05 152.3 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.077 170.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -117.42 26.27 9.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.068 -178.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 51.46 43.85 29.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.147 179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 87.8 mt-30 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 -178.551 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.436 ' HE1' ' HG3' ' A' 4480 ' ' LYS . 73.1 mtm . . . . . 0 N--CA 1.458 -0.054 0 CA-C-O 120.848 0.356 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' 4392 ' ' MET . . . -39.8 -37.38 0.93 Allowed Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.509 -176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 34.6 p80 -66.37 179.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.842 0.354 . . . . 0.0 110.806 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.44 ' HA ' ' CG2' ' A' 4432 ' ' THR . 31.5 p80 -71.31 163.42 27.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 -161.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -141.8 81.28 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.881 177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -122.61 9.97 9.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.77 -173.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -140.58 43.2 1.86 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.839 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.573 ' O ' ' HB2' ' A' 4400 ' ' SER . 95.4 m-70 -146.04 44.4 1.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.807 176.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . 0.573 ' HB2' ' O ' ' A' 4399 ' ' HIS . 13.7 t 155.58 124.78 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.933 -177.124 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -141.54 40.58 1.72 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.815 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 63.7 tpp -170.86 134.7 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -160.8 114.88 2.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 171.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.743 ' O ' ' HB2' ' A' 4405 ' ' ALA . 51.2 tp -164.41 134.02 3.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.21 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . 0.743 ' HB2' ' O ' ' A' 4404 ' ' LEU . . . 152.59 14.24 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.161 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 43.7 t -154.25 115.2 4.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 12.9 t90 -89.61 -62.44 1.47 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.921 174.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.1 t 65.37 -165.12 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.882 179.167 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 67.9 t0 -148.02 114.82 3.98 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 121.599 0.714 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.423 ' O ' ' HB ' ' A' 4411 ' ' THR . 41.1 Cg_endo -68.63 117.31 4.9 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.62 2.214 . . . . 0.0 112.418 -176.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . 0.724 HG23 ' O ' ' A' 4411 ' ' THR . 8.9 t 179.58 77.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.164 172.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -178.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -123.97 81.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 44.8 p -134.04 90.71 2.72 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.107 -169.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 137.36 174.09 13.19 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -76.3 -171.49 1.1 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.651 2.234 . . . . 0.0 112.343 178.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' 4599 ' ' ARG . 98.2 t -53.76 112.73 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.151 178.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -92.42 -27.21 17.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -152.71 -179.11 28.0 Favored Glycine 0 N--CA 1.453 -0.212 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.437 -176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 46.3 mm -117.27 138.0 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.815 0.341 . . . . 0.0 111.156 -174.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.515 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 25.5 tp -111.49 129.4 56.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.963 176.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.485 ' O ' ' N ' ' A' 4426 ' ' LEU . 31.5 t70 -84.75 97.4 9.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.886 165.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 97.9 m -64.16 -25.71 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.112 -174.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -56.79 -34.84 68.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.832 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.0 p -132.93 4.84 3.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.485 ' N ' ' O ' ' A' 4422 ' ' ASP . 94.6 mt 54.97 40.15 31.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 52.8 mm-40 -84.93 101.99 12.78 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 172.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 58.7 pttt -74.49 125.76 29.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 174.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 31.4 m -135.09 159.99 41.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 -176.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 82.0 p -73.43 167.34 21.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 176.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 43.2 mm -59.95 -41.83 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.173 176.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . 0.44 ' CG2' ' HA ' ' A' 4395 ' ' HIS . 74.3 m -65.28 -42.9 92.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 177.027 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.71 -39.06 87.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.425 ' HB1' ' HB2' ' A' 4439 ' ' LEU . . . -65.72 -36.47 83.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.08 -178.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . 0.478 ' HG2' HG23 ' A' 4440 ' ' VAL . 75.8 mtm -64.95 -37.99 89.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 173.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.1 t60 -70.98 -36.38 72.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.815 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.553 ' O ' ' HB2' ' A' 4438 ' ' ASN . 94.7 mtt-85 -76.01 -80.21 0.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.827 -175.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.553 ' HB2' ' O ' ' A' 4437 ' ' ARG . 33.5 t30 168.74 27.64 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -174.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.425 ' HB2' ' HB1' ' A' 4434 ' ' ALA . 95.9 mt -102.02 -36.77 8.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -174.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . 0.478 HG23 ' HG2' ' A' 4435 ' ' MET . 19.6 m -141.75 169.31 14.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.155 -175.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.0 t0 -110.29 171.94 7.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.2 t30 -57.98 -37.17 73.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 176.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 42.7 mm -67.24 -43.11 88.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.126 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 62.0 m -65.62 -44.19 87.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.68 -38.1 95.71 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.468 173.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -62.25 -44.67 96.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 42.5 mmt180 -68.34 -37.1 80.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 76.3 mt -64.79 -36.9 85.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 91.8 mt -65.49 -38.57 90.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 173.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.05 -40.68 98.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 173.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.21 -39.84 89.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 -176.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -69.16 -38.47 78.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 177.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -36.93 85.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.06 175.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 54.8 m -63.87 -31.41 72.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.988 0.423 . . . . 0.0 110.902 178.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 82.1 p -83.95 -16.28 44.76 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.177 175.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 155.61 -94.53 0.14 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.474 174.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -107.41 170.32 15.48 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.507 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.5 mm -73.54 127.11 35.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.799 0.333 . . . . 0.0 111.16 173.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.455 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.3 mt -94.91 120.26 44.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 -171.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 66.6 t0 -90.83 115.54 64.49 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.529 0.68 . . . . 0.0 110.909 -175.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.413 ' O ' ' HB3' ' A' 4462 ' ' SER . 52.2 Cg_exo -53.14 111.76 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.692 2.261 . . . . 0.0 112.244 175.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . 0.413 ' HB3' ' O ' ' A' 4461 ' ' PRO . 88.0 p 175.18 -48.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.811 -173.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.5 t -176.02 25.17 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.94 22.92 51.43 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.493 176.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -70.71 140.79 51.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.892 0.377 . . . . 0.0 110.856 177.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . 0.455 ' HG2' HG12 ' A' 4459 ' ' ILE . 99.4 mtt180 -120.07 129.22 54.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.97 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -133.6 150.16 74.12 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.713 . . . . 0.0 110.903 -178.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.03 154.41 17.85 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.703 2.269 . . . . 0.0 112.311 173.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 71.5 t -64.51 -46.26 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.21 -176.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 90.6 m -67.19 -36.94 82.8 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -68.47 -37.45 80.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.65 -34.35 76.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 178.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.401 HG21 ' CG2' ' A' 4483 ' ' VAL . 53.3 t -67.95 -38.74 80.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.098 172.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -70.1 -32.39 70.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.928 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.453 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.34 54.58 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.809 -179.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.32 -133.35 2.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.441 178.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.613 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.11 33.02 3.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.889 0.376 . . . . 0.0 110.936 -173.485 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 55.0 t -118.15 138.72 47.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.148 177.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . 0.434 ' HB3' HG12 ' A' 4481 ' ' ILE . 97.6 m-20 -82.1 149.22 28.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.923 -179.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . 0.436 ' HG3' ' HE1' ' A' 4392 ' ' MET . 56.6 mtmt -58.65 -32.97 69.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 176.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . 0.434 HG12 ' HB3' ' A' 4479 ' ' ASP . 27.9 pt -66.52 -13.58 16.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.12 -177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.9 mtt -102.17 -2.52 29.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.815 -175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.426 ' O ' ' HB2' ' A' 4487 ' ' ASN . 54.0 t -62.59 -57.58 11.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 -176.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.55 -38.4 87.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -177.087 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 54.2 ttm-85 -65.25 -42.58 93.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' 4489 ' ' ALA . 97.3 mt -82.87 -25.4 8.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.178 -178.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.426 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -62.4 -33.64 75.17 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.83 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.4 HD23 HD11 ' A' 4516 ' ' LEU . 5.9 mp -64.92 -32.79 74.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.988 173.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . 0.617 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -68.91 -38.11 79.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.098 172.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -64.99 -41.6 95.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.923 174.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.57 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 49.5 mtmt -69.98 -32.18 70.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -63.62 -34.06 76.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.14 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 90.4 t80 -74.2 -49.26 24.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 173.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 45.6 t -175.96 85.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -177.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.57 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -151.67 -49.59 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -51.98 113.23 0.95 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.816 0.341 . . . . 0.0 110.83 -174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -168.41 157.04 8.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.928 -177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 59.1 p30 -99.92 156.46 35.29 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.682 0.753 . . . . 0.0 110.809 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 85.6 Cg_endo -78.69 55.45 5.52 Favored 'Trans proline' 0 C--O 1.232 0.218 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 175.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -138.61 -49.36 0.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.809 -178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 8.8 t -142.75 3.7 1.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 42.5 mmtm 55.63 32.14 18.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.923 179.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 8.0 t -51.42 154.1 1.93 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . 0.436 ' HB3' ' HG2' ' A' 4537 ' ' PRO . 75.5 mmtt -114.34 106.04 13.85 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.91 -166.305 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 2.6 mpp? -90.78 135.54 33.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.94 176.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 13.5 t -74.41 157.38 35.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.896 166.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.411 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -58.7 -38.31 77.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 167.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.36 -40.26 85.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.077 176.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.459 ' HG3' ' OG1' ' A' 4553 ' ' THR . 85.0 mt-30 -67.78 -36.09 79.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' 4515 ' ' TRP . . . -63.82 -33.63 76.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.454 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -68.76 -39.15 80.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.813 173.158 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 86.0 tttt -65.95 -27.31 68.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.923 178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -119.13 -174.5 2.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.979 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -88.08 42.54 3.1 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.448 -176.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.433 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 82.1 m95 -104.14 -30.51 10.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.815 0.34 . . . . 0.0 110.934 -178.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.4 HD11 HD23 ' A' 4488 ' ' LEU . 40.7 tp -152.25 144.2 23.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.89 -177.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . 0.481 ' CZ ' ' HB2' ' A' 4520 ' ' ALA . 42.9 p90 -91.49 162.17 14.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -174.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . 0.438 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 84.5 t80 -57.92 -46.89 84.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.981 -164.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.1 -40.29 97.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.94 -167.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . 0.481 ' HB2' ' CZ ' ' A' 4517 ' ' TYR . . . -74.32 -50.62 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.017 -174.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -61.22 -39.05 96.63 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.446 -175.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . 0.438 ' HG3' ' CZ ' ' A' 4518 ' ' TYR . 26.5 mm100 -62.1 -38.3 88.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.787 0.327 . . . . 0.0 110.882 -178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -66.77 -44.83 80.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . 0.617 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 29.5 m-85 -77.16 -33.21 56.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.94 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4534 ' ' LEU . 84.1 mt -67.66 -34.41 76.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 174.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -62.96 -43.87 97.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 -179.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 79.6 t -66.08 -42.77 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.092 -178.313 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -65.57 -37.68 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.969 176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 84.7 t80 -64.47 -41.37 96.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 81.5 mt -66.12 -29.99 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -178.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . 0.466 HG22 HD11 ' A' 4587 ' ' LEU . 81.8 p -83.87 -30.95 26.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.204 177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -176.5 -74.94 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.488 177.369 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -152.22 -170.83 19.24 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.501 -178.53 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.502 HD22 HD22 ' A' 4525 ' ' LEU . 33.7 mt -88.01 119.98 28.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.828 0.346 . . . . 0.0 110.87 -176.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 93.9 mt -82.35 131.91 32.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.088 -170.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.415 ' HG2' ' H ' ' A' 4538 ' ' ASP . 84.9 tt0 -124.4 132.37 24.29 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-O 121.627 0.727 . . . . 0.0 110.89 175.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.436 ' HG2' ' HB3' ' A' 4504 ' ' LYS . 19.1 Cg_endo -60.88 -28.09 85.82 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 0.0 112.372 -176.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.415 ' H ' ' HG2' ' A' 4536 ' ' GLU . 61.6 t0 -70.95 -61.88 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 175.044 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.592 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 73.1 p -62.96 163.95 14.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.558 0.694 . . . . 0.0 111.119 178.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.592 ' HD2' ' HB ' ' A' 4539 ' ' THR . 72.8 Cg_endo -74.39 69.45 5.02 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.744 2.296 . . . . 0.0 112.319 176.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 86.56 -123.32 6.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.835 -0.697 . . . . 0.0 112.46 174.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 81.1 mtt85 -76.25 143.52 40.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.822 0.344 . . . . 0.0 110.876 -168.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 82.8 t -122.29 126.47 26.22 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.618 0.723 . . . . 0.0 111.116 174.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 58.0 Cg_exo -52.88 139.53 59.85 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 176.08 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.97 -41.23 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.959 -178.488 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.63 -35.43 80.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 175.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -68.88 -35.83 77.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.26 83.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.096 175.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.0 mt -66.11 -47.34 74.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.29 -24.36 61.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.878 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 93.3 mtt-85 -77.65 -20.23 54.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 174.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 89.95 -8.92 78.91 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.525 175.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.459 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 9.7 t -64.43 -24.97 67.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 111.172 -176.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.44 HG13 HG23 ' A' 4553 ' ' THR . 31.0 m -128.32 152.21 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.104 170.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 56.8 p30 -102.34 178.91 4.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 171.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.25 -40.2 93.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.08 -178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' A' 4561 ' ' LYS . 31.3 ttm180 -63.85 -40.48 96.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -175.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 70.7 m -73.05 -40.32 65.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.205 176.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.24 -39.79 93.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.07 -171.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -65.27 -27.92 68.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.864 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' 4557 ' ' ARG . 74.8 mmtt -67.32 -34.53 77.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 175.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.6 mm? -71.39 -31.64 67.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 173.301 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -75.25 -27.81 59.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.962 176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 44.6 t0 -97.31 59.25 1.57 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 33.2 m -64.12 -24.49 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 178.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.18 -21.55 77.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.508 -175.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.46 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.753 0.311 . . . . 0.0 111.081 177.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -84.42 145.3 28.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.946 -175.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 38.4 t -66.03 141.77 58.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.891 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.612 ' HD2' ' N ' ' A' 4570 ' ' LYS . 10.9 mptt -85.88 148.49 25.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 175.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 87.7 m-85 -130.58 5.67 4.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -176.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.453 ' HB2' HG13 ' A' 4581 ' ' ILE . 93.0 mt -108.46 131.62 54.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 178.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.0 m -102.05 127.69 48.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.151 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.8 t -143.3 129.21 10.19 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-O 121.598 0.713 . . . . 0.0 110.91 174.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.72 117.16 4.99 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.715 2.277 . . . . 0.0 112.364 -177.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.686 ' O ' ' HG3' ' A' 4576 ' ' LYS . 58.1 tptt -176.92 35.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.847 173.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.708 ' O ' HG22 ' A' 4577 ' ' THR . 39.7 m 55.06 27.98 10.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.142 -171.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' 4579 ' ' LEU . 99.0 mttt -130.04 -46.76 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 178.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' 4578 ' ' LYS . 63.6 mt 74.2 -64.53 0.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 171.407 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.5 mttt -85.2 116.46 23.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -176.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.453 HG13 ' HB2' ' A' 4572 ' ' LEU . 37.4 pt -129.34 156.43 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.192 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 62.3 p -83.56 170.85 13.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.782 171.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 25.5 m-85 -64.11 -38.76 92.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.959 173.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -63.7 -38.38 90.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.952 174.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -64.55 -40.05 94.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.812 171.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.05 -37.71 88.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.061 -176.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 96.1 mt -66.7 -34.92 78.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -176.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -69.07 -28.87 66.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 174.489 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 50.4 mmm-85 -101.73 -3.97 27.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.809 -175.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 72.6 p -70.92 147.55 48.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -178.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 94.8 mtp -121.81 136.84 54.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.936 176.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 89.9 t -86.62 127.74 40.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.101 -175.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' 4594 ' ' GLU . 81.9 tt0 -73.01 74.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.837 174.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' 4593 ' ' GLU . 97.1 mt-10 72.32 -84.95 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 177.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' 4411 ' ' THR . . . -179.87 54.69 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.528 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 66.6 p -124.41 22.66 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.794 0.33 . . . . 0.0 111.188 -177.392 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.34 20.56 75.33 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.396 -178.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.05 92.74 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.773 0.32 . . . . 0.0 110.904 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . 0.4 ' HB3' ' HA ' ' A' 4417 ' ' VAL . 53.3 ttm-85 -79.81 131.73 35.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.883 179.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . 0.515 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 79.2 mt -107.92 133.81 51.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.887 -178.001 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 56.2 tp -93.21 127.58 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 173.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.53 128.37 35.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.62 167.97 21.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.21 -178.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -136.84 124.22 22.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.157 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -76.2 72.49 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.062 179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 176.566 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.425 ' HB3' ' CA ' ' A' 4464 ' ' GLY . 94.4 mtp . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.879 0.371 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.404 ' HA3' ' HA ' ' A' 4459 ' ' ILE . . . -111.18 -109.42 3.12 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.501 -161.068 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.436 ' O ' ' CD1' ' A' 4467 ' ' PHE . 73.0 t60 -154.45 149.69 27.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.891 -157.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' 4396 ' ' HIS . 33.9 t60 85.25 75.04 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.822 165.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.704 ' O ' ' CB ' ' A' 4397 ' ' HIS . 87.3 m-70 75.78 147.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 160.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.704 ' CB ' ' O ' ' A' 4396 ' ' HIS . 61.1 t-80 113.68 80.41 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.814 166.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -169.83 143.76 2.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 177.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -149.3 163.92 36.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 13.2 t -143.25 -167.11 2.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -135.02 -171.72 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.922 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 92.9 mmm -95.1 -145.08 0.26 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.828 178.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -111.19 86.97 2.43 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 68.4 tp -155.03 113.36 3.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.938 173.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . 48.76 44.81 21.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 178.373 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 36.9 t -82.57 108.19 15.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -174.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -73.57 113.66 10.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 171.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 37.1 t -97.14 129.49 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -178.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.442 ' HB2' ' HD2' ' A' 4410 ' ' PRO . 49.7 p30 -154.93 168.46 12.01 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.605 0.717 . . . . 0.0 110.857 -175.176 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.442 ' HD2' ' HB2' ' A' 4409 ' ' ASP . 45.3 Cg_exo -59.27 157.4 30.66 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.679 2.253 . . . . 0.0 112.4 178.217 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 42.4 p -84.99 -95.0 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.163 -177.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -158.94 133.22 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 178.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -125.24 55.67 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 178.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 45.1 p -134.2 179.64 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.26 148.26 8.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.516 174.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.456 ' HD3' HG21 ' A' 4455 ' ' THR . 80.1 Cg_endo -68.1 -174.23 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.614 2.21 . . . . 0.0 112.365 171.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 76.0 t -51.89 111.67 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.122 176.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -82.01 -39.79 23.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.122 -176.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -153.53 -173.61 22.9 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.412 -176.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 42.4 mm -112.05 137.52 44.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.835 0.35 . . . . 0.0 111.152 -172.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 4.0 tt -121.36 127.59 51.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -84.28 110.43 18.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.804 177.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 29.5 m -60.6 -25.71 66.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.102 -176.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.31 -29.28 70.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.947 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 55.5 p -134.01 -3.08 2.84 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.011 -176.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.462 ' N ' ' O ' ' A' 4422 ' ' ASP . 4.2 mp 55.05 37.19 28.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.962 -175.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 50.6 mt-10 -96.33 120.33 36.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.845 178.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 55.7 pttt -76.29 131.13 39.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.885 173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -133.13 160.98 42.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.103 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.1 p -71.61 164.41 25.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 179.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.8 mm -59.91 -40.31 82.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.238 174.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 79.9 m -65.84 -43.1 89.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.062 178.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -66.65 -39.51 88.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.896 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.88 -41.01 92.1 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 -179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . 0.413 ' HA ' HG23 ' A' 4440 ' ' VAL . 71.6 mtm -65.49 -32.06 73.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 178.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.506 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.6 t60 -60.76 -39.2 87.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 -169.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.506 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.9 ptp180 169.88 55.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.865 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 45.3 t30 -106.25 -74.44 0.66 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 177.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.1 pp -160.97 -8.14 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -175.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . 0.413 HG23 ' HA ' ' A' 4435 ' ' MET . 9.4 m -107.92 165.22 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.129 175.047 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.6 p30 -119.07 -176.01 3.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.009 173.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 43.6 t30 -58.95 -37.36 76.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.885 179.119 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 38.7 mm -67.97 -46.01 82.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.113 -177.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 94.5 m -65.65 -42.48 91.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.129 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.3 -38.43 96.22 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.513 174.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 37.9 tt0 -61.74 -45.68 92.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.787 0.327 . . . . 0.0 110.947 179.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -66.78 -37.86 85.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -176.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 91.1 mt -67.29 -38.81 85.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.952 174.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 60.5 mt -65.58 -39.13 91.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.832 176.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.09 -39.15 93.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.14 -38.0 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.048 179.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -70.23 -37.55 75.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.934 174.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.56 -35.72 81.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.076 177.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . 0.403 ' HA ' ' CE2' ' A' 4493 ' ' PHE . 63.7 m -68.1 -24.07 64.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 178.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . 0.456 HG21 ' HD3' ' A' 4416 ' ' PRO . 75.1 p -103.29 33.98 3.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.38 -121.92 7.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.495 178.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -89.56 174.74 41.7 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -175.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 42.3 mm -78.95 135.52 25.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.861 0.362 . . . . 0.0 111.137 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.404 ' HA ' ' HA3' ' A' 4393 ' ' GLY . 80.0 mt -127.15 107.38 16.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.184 -170.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.413 ' HB3' ' HB3' ' A' 4394 ' ' HIS . 16.6 t70 -119.2 135.35 23.87 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.573 0.702 . . . . 0.0 110.856 172.704 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.441 ' HA ' HD22 ' A' 4598 ' ' LEU . 73.5 Cg_exo -54.99 104.68 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.128 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -178.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 25.9 t -153.85 -75.88 0.12 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 28.3 p -138.38 -3.71 1.71 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.24 -162.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . 0.425 ' CA ' ' HB3' ' A' 4392 ' ' MET . . . 92.13 21.55 32.53 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.417 177.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' 4394 ' ' HIS . 5.6 mm-40 -88.1 133.95 33.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.321 . . . . 0.0 110.92 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 41.1 ttm180 -119.2 126.81 52.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 173.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . 0.436 ' CD1' ' O ' ' A' 4394 ' ' HIS . 6.9 p90 -149.71 164.01 22.57 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.667 0.746 . . . . 0.0 110.869 -159.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -66.56 164.26 29.52 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.764 2.31 . . . . 0.0 112.317 -177.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 75.4 t -68.64 -39.46 80.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 177.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 88.8 m -61.88 -36.72 82.1 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.17 -168.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -68.57 -30.36 69.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.82 -178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.06 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 76.0 t -63.5 -35.56 72.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.192 177.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -68.47 -35.47 77.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.795 -167.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.3 tttt -165.91 49.53 0.08 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 177.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -144.64 -123.38 1.66 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.52 -171.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.826 ' N ' HD23 ' A' 4477 ' ' LEU . 0.6 OUTLIER -140.15 38.19 1.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.935 0.398 . . . . 0.0 110.948 -160.838 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 86.4 t -141.83 133.75 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.155 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -81.19 150.5 28.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 177.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -58.24 -33.97 69.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.8 pt -75.78 -16.84 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.086 -174.193 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 44.0 mtm -105.99 2.44 27.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.43 ' O ' ' HB2' ' A' 4487 ' ' ASN . 69.9 t -61.08 -57.67 11.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 -176.133 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -66.37 -34.23 77.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.78 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 62.7 ttm-85 -63.67 -40.38 96.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.878 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.4 mt -84.89 -29.33 6.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.43 ' HB2' ' O ' ' A' 4483 ' ' VAL . 17.9 t-20 -64.27 -26.45 68.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.885 -175.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 31.2 tp -60.57 -36.67 79.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 175.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -36.84 81.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.046 174.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 30.3 tt0 -64.28 -41.48 96.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.908 171.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.461 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 51.5 mtmt -70.08 -32.95 71.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -178.184 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.06 -38.88 92.26 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -167.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . 0.403 ' CE2' ' HA ' ' A' 4454 ' ' CYS . 94.3 m-85 -97.06 -31.93 12.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.92 -175.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 24.4 p -149.97 79.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.929 -178.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.461 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -174.98 -58.71 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.489 -175.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -72.79 -14.18 61.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.798 0.333 . . . . 0.0 110.84 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . 0.459 ' HG3' ' H ' ' A' 4498 ' ' ASP . 5.8 pt-20 -48.96 -71.7 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.911 -167.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . 0.459 ' H ' ' HG3' ' A' 4497 ' ' GLU . 52.4 t0 -179.45 102.49 0.19 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.57 0.7 . . . . 0.0 110.836 -170.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' 4500 ' ' ARG . 56.2 Cg_endo -74.64 74.85 3.69 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.332 -174.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.464 ' HB3' ' O ' ' A' 4499 ' ' PRO . 40.5 ptt180 174.95 -34.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.879 -178.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 14.7 t -137.49 -29.51 0.87 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 -175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 70.83 141.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 177.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' 4504 ' ' LYS . 17.1 p -119.33 -38.83 2.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -171.159 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' 4503 ' ' THR . 98.8 mttt 64.96 124.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.99 -168.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.17 160.4 21.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.872 -172.127 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 55.8 p -87.61 170.03 11.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.856 -177.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.81 -38.15 87.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.116 169.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -66.03 -38.42 88.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.072 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.438 ' HG3' ' OG1' ' A' 4553 ' ' THR . 80.8 mt-30 -68.25 -34.22 75.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 174.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -59.81 -36.21 76.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 172.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.464 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -66.98 -38.93 86.95 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 173.786 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -72.76 -28.6 62.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -85.22 -30.45 23.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.82 37.32 10.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.53 174.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.511 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.9 OUTLIER -123.62 -1.4 8.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.808 0.337 . . . . 0.0 110.893 172.571 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 13.1 tp -124.14 138.01 54.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.899 164.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 43.3 p90 -89.96 166.23 13.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -169.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . 0.431 ' CZ ' ' HG3' ' A' 4522 ' ' GLN . 78.2 t80 -57.76 -46.93 83.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.972 -163.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.38 -37.53 87.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.871 -172.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -71.82 -46.46 58.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.056 -177.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.02 -43.67 98.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.381 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . 0.432 ' O ' ' HG2' ' A' 4526 ' ' GLU . 95.8 mm-40 -64.95 -39.05 92.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.818 0.342 . . . . 0.0 111.004 -177.137 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.01 -37.42 87.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 13.7 m-30 -73.82 -37.9 64.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.903 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.661 ' HB3' HD11 ' A' 4562 ' ' LEU . 78.4 mt -71.89 -39.41 69.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.979 -173.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . 0.432 ' HG2' ' O ' ' A' 4522 ' ' GLN . 71.0 mm-40 -63.48 -37.81 88.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.906 -169.065 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 54.4 t -65.11 -36.99 79.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.206 175.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.455 ' HB3' ' HA ' ' A' 4534 ' ' LEU . 82.3 mt-30 -65.24 -39.12 92.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 -172.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.5 ' HB2' HD12 ' A' 4562 ' ' LEU . 52.9 t80 -63.2 -38.5 91.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.977 177.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 87.2 mt -64.91 -30.03 71.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.884 178.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 74.2 p -85.56 -15.48 42.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 122.56 3.81 9.19 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.468 163.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 170.76 165.43 28.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.431 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.455 ' HA ' ' HB3' ' A' 4528 ' ' GLN . 53.9 mt -85.36 139.58 31.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 110.898 -173.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.29 126.6 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 -172.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -138.41 114.52 8.92 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.552 0.692 . . . . 0.0 110.922 173.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -55.39 -27.78 60.03 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.258 -176.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 32.4 t70 -66.72 -32.35 73.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.909 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.468 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 77.1 p -90.91 158.68 41.61 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-O 121.568 0.699 . . . . 0.0 111.134 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.468 ' HD2' ' HB ' ' A' 4539 ' ' THR . 18.3 Cg_endo -58.47 -26.79 79.56 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.408 -178.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -159.31 -115.66 0.42 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.414 177.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 89.4 mtm-85 -115.6 141.37 48.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.906 0.384 . . . . 0.0 110.837 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 83.9 t -104.87 127.9 27.85 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.681 0.753 . . . . 0.0 111.16 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 76.9 Cg_exo -51.91 144.01 37.53 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.731 2.287 . . . . 0.0 112.29 177.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 44.2 tp -58.2 -41.49 84.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.991 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -63.76 -37.57 87.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 178.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.42 -34.67 70.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 175.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.046 177.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 27.2 mt -64.25 -46.01 85.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.002 -179.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -73.66 -23.99 59.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.958 178.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -76.37 -22.92 54.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 174.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.41 -12.18 69.25 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.534 172.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.438 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 7.6 t -61.55 -26.12 67.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.853 0.359 . . . . 0.0 111.12 -177.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 30.7 m -125.67 158.65 34.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 171.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.5 p30 -112.6 -179.95 3.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.801 171.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.01 -41.91 98.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.053 -176.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.57 -40.61 95.87 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.909 -175.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 66.8 m -72.15 -39.58 68.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -66.25 -40.24 90.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 -171.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -64.96 -32.42 74.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 -178.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.8 mttt -67.84 -34.93 77.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.825 174.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.661 HD11 ' HB3' ' A' 4525 ' ' LEU . 2.6 mm? -67.44 -31.89 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.897 173.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.06 -24.17 60.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 177.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 56.2 t0 -97.82 70.17 2.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 176.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 16.0 m -66.24 -22.35 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.108 178.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -65.78 -18.5 66.33 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.482 -177.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -78.84 -21.85 47.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.912 0.387 . . . . 0.0 111.179 178.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.5 t80 -73.59 136.53 43.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 42.4 t -63.38 132.89 52.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.854 -175.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -87.1 150.13 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.952 177.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 53.2 p90 -141.94 -2.32 1.18 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 74.2 mt -107.74 126.0 52.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 97.1 m -105.65 127.3 52.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 52.4 t -117.98 142.55 31.11 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.562 0.696 . . . . 0.0 110.909 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 61.6 Cg_endo -74.94 -3.42 13.89 Favored 'Trans proline' 0 C--O 1.23 0.115 0 C-N-CA 122.648 2.232 . . . . 0.0 112.404 -176.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 83.2 tttt -46.54 -70.46 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.866 -176.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 14.8 t -174.97 -24.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.552 ' O ' ' N ' ' A' 4580 ' ' LYS . 99.5 mttt -92.51 -14.35 28.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.967 -175.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.6 mp 53.85 -75.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -172.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.552 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.3 tttt -73.21 110.74 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -178.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 23.8 pt -133.45 165.39 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.217 -172.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.5 p -77.36 165.29 24.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 173.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.423 ' O ' ' HG ' ' A' 4587 ' ' LEU . 64.7 t80 -63.09 -38.62 91.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.897 173.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.59 -36.31 82.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.966 176.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -62.72 -40.15 96.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.879 172.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.08 -35.99 82.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.106 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' 4583 ' ' TYR . 93.1 mt -65.17 -30.75 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -177.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.77 -29.53 67.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 176.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 47.5 mmm-85 -102.84 -4.28 25.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.852 -175.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 60.0 p -66.23 154.98 38.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.757 -178.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.3 ttm -123.26 133.19 54.2 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.854 -176.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 87.2 t -81.29 123.88 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 176.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . 0.431 ' HB3' ' HB2' ' A' 4598 ' ' LEU . 14.2 tm-20 -67.0 -32.37 73.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.884 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -167.45 -42.54 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 -176.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 124.7 19.64 2.48 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -174.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 77.2 p -106.37 16.71 24.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.825 0.345 . . . . 0.0 111.106 177.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 94.39 21.01 28.15 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.473 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' 4461 ' ' PRO . 81.5 mt -106.34 93.04 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 0.0 110.883 -177.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 61.5 ttm-85 -83.61 128.98 34.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 176.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 82.9 mt -110.23 139.65 45.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 177.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 51.5 tp -84.13 119.95 25.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.873 174.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -84.7 116.21 23.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 178.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.32 155.35 37.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.037 178.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -124.65 27.32 6.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.28 46.99 22.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 70.1 tp60 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 98.1 mmm . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.583 ' O ' ' N ' ' A' 4395 ' ' HIS . . . 118.42 -113.5 2.62 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.523 -171.21 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 64.1 t-80 -50.4 84.04 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -158.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.583 ' N ' ' O ' ' A' 4393 ' ' GLY . 98.1 m-70 -134.96 -176.39 4.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.88 174.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' 4397 ' ' HIS . 97.0 m-70 54.45 -114.46 0.87 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 -165.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' 4396 ' ' HIS . 99.4 m-70 65.43 104.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 -175.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.11 142.32 50.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -167.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -105.08 137.64 42.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.82 -172.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.5 p -158.33 160.7 37.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.832 -169.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 57.2 p-80 -164.74 169.9 16.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.842 -166.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 67.3 ttp -141.45 128.39 20.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -169.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . 0.499 ' HG3' ' HE3' ' A' 4580 ' ' LYS . 18.9 pt20 -162.42 -169.47 2.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.704 HD23 ' H ' ' A' 4404 ' ' LEU . 2.0 pt? -125.14 165.16 18.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.946 -169.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.04 150.41 29.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.06 177.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 85.5 p -62.86 172.09 1.86 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.831 -176.553 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . 0.405 ' CE3' ' O ' ' A' 4408 ' ' SER . 45.7 t90 -148.88 -62.22 0.23 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.954 -169.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . 0.405 ' O ' ' CE3' ' A' 4407 ' ' TRP . 22.8 t 63.02 -124.1 0.61 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.9 t0 -133.37 81.12 56.22 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.602 0.715 . . . . 0.0 110.825 -173.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -79.35 -171.29 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.381 173.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 64.9 p -101.86 167.45 10.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 169.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -139.28 94.84 2.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -166.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . 0.518 ' HB2' ' HA ' ' A' 4588 ' ' ASP . 95.6 mt-10 -94.73 151.83 18.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 154.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 65.6 p -130.5 157.83 41.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 160.83 157.18 8.57 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.476 175.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.37 117.4 4.96 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.281 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 87.0 t -86.22 119.99 35.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.119 179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -99.83 -34.08 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 -172.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -162.08 -168.87 24.61 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.464 -168.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.6 mm -115.01 140.28 37.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.938 0.399 . . . . 0.0 111.155 -170.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' 4421 ' ' LEU . 4.8 tt -120.86 128.74 53.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.942 175.158 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.406 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.5 t0 -82.07 111.73 18.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 173.279 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 94.8 m -67.15 -29.39 69.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.184 -173.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.4 -42.95 43.93 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -177.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 60.0 p -131.38 5.6 4.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.105 -178.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' 4422 ' ' ASP . 90.1 mt 55.5 60.18 3.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 -177.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -107.93 114.96 29.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' 4428 ' ' LYS . 45.0 pttt -76.12 127.85 33.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 176.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.35 157.72 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.176 175.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 81.6 p -72.65 167.96 19.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.948 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 41.3 mm -60.64 -38.6 78.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 173.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . 0.42 ' OG1' ' HB3' ' A' 4477 ' ' LEU . 97.3 m -64.84 -44.1 90.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.129 176.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -67.43 -41.98 83.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.838 -176.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -68.69 -43.27 76.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.036 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.8 ttm -68.23 -32.44 72.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.585 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.5 t60 -60.58 -38.3 84.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -170.357 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.585 ' HB3' ' O ' ' A' 4436 ' ' HIS . 19.7 ptp180 166.81 55.84 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 178.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 41.5 t30 -104.7 -72.92 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.439 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.521 ' HB2' ' HA ' ' A' 4605 ' ' ALA . 4.5 pp -162.62 -15.97 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.919 -174.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -90.14 172.32 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.182 -176.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 50.6 p30 -121.84 -179.8 4.24 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.958 171.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -60.17 -36.21 77.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.932 -179.363 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.97 -43.41 85.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.118 -175.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.5 m -65.12 -44.66 87.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.243 -178.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.29 -40.09 96.37 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.527 173.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 16.8 tm0? -63.81 -41.93 97.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.749 0.309 . . . . 0.0 110.933 -176.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -67.53 -38.22 83.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.859 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -67.65 -39.43 84.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.967 174.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . 0.446 HD13 HG22 ' A' 4478 ' ' VAL . 92.0 mt -66.02 -35.7 81.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.902 174.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.27 -41.72 98.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . 0.549 ' O ' HG23 ' A' 4455 ' ' THR . . . -65.33 -37.63 87.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.058 178.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 -67.39 -38.24 84.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.94 -37.14 86.67 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.107 175.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 97.9 m -66.27 -34.65 78.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.916 177.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . 0.549 HG23 ' O ' ' A' 4451 ' ' ALA . 64.5 p -83.65 -22.22 32.23 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.535 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 170.42 -115.55 0.6 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.482 178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -99.07 -178.0 31.81 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.492 173.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.84 131.59 34.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.349 . . . . 0.0 111.114 173.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' 4465 ' ' GLU . 94.7 mt -112.83 117.65 55.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.131 -171.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 11.5 t0 -84.68 128.4 61.28 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.626 0.727 . . . . 0.0 110.835 170.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -68.05 -12.67 35.92 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -176.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 54.8 m -48.78 -53.78 17.72 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 -177.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 15.3 t -144.35 20.0 1.72 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.16 177.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 74.04 44.11 31.04 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' 4459 ' ' ILE . 96.3 mt-10 -70.68 152.39 43.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.866 0.365 . . . . 0.0 110.898 -176.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 79.4 ttt180 -124.67 117.9 25.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 174.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . 0.419 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 16.2 p90 -150.9 152.92 32.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.641 0.734 . . . . 0.0 110.918 -179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 50.1 Cg_exo -60.32 155.03 48.65 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.673 2.249 . . . . 0.0 112.33 -176.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 10.7 p -67.48 -36.2 75.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.112 177.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 93.4 m -65.43 -38.64 90.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.192 178.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -70.07 -35.28 74.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 173.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -62.15 -35.55 79.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 178.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.724 HG21 ' CG2' ' A' 4483 ' ' VAL . 73.9 t -68.46 -39.1 80.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.13 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -73.06 -34.16 66.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.806 -177.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -158.87 55.14 0.42 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -176.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.466 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -151.63 -135.36 2.28 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.542 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.516 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -131.33 30.46 4.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.887 0.375 . . . . 0.0 110.947 -174.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . 0.446 HG22 HD13 ' A' 4449 ' ' LEU . 89.2 t -116.97 131.48 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.122 178.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . 0.426 ' HB3' HG12 ' A' 4481 ' ' ILE . 93.8 m-20 -70.18 143.5 52.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 176.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -58.64 -32.13 68.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . 0.426 HG12 ' HB3' ' A' 4479 ' ' ASP . 47.1 pt -66.23 -13.7 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.05 -179.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -100.39 -2.4 33.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.77 -173.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.724 ' CG2' HG21 ' A' 4473 ' ' VAL . 79.4 t -61.58 -55.5 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.163 -177.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.79 -37.23 85.73 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -63.64 -43.21 97.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 96.7 mt -84.79 -26.88 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' 4483 ' ' VAL . 22.1 t-20 -63.25 -33.48 75.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -172.342 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 22.9 tp -64.83 -36.79 85.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 176.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.91 -35.57 78.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.175 173.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -64.84 -41.24 95.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.415 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 57.6 mtmt -68.7 -37.01 79.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.854 176.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.3 -32.79 74.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 70.6 t80 -66.85 -45.64 77.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.853 177.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 47.4 t -172.45 79.71 0.05 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.844 177.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . -175.64 -152.72 9.67 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.5 -176.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.415 ' HB2' ' HB3' ' A' 4491 ' ' LYS . 5.0 t80 55.01 84.79 0.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.809 0.338 . . . . 0.0 110.888 -176.032 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 24.6 pt-20 -161.87 160.04 27.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 -172.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -91.29 138.9 25.41 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.601 0.715 . . . . 0.0 110.838 177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -70.13 99.69 0.81 Allowed 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.77 2.314 . . . . 0.0 112.314 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -165.89 -54.64 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.794 -177.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 14.9 t -139.16 8.39 2.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.237 -178.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 13.5 mmmm 45.14 78.7 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 11.6 t -76.31 168.36 20.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.198 -174.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -119.08 97.06 5.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 177.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 25.4 ptp -108.2 145.16 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 59.5 p -89.64 165.42 14.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.901 176.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.14 -41.07 96.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.077 175.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -67.1 -39.48 86.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.066 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -66.3 -33.6 76.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.437 ' HB1' ' HB2' ' A' 4516 ' ' LEU . . . -59.08 -33.82 71.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.579 HD21 ' HA3' ' A' 4521 ' ' GLY . 4.3 mm? -72.52 -37.99 68.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 174.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -66.17 -24.98 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 178.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -112.91 -178.62 3.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 -178.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -83.53 39.83 2.83 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.469 176.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.403 ' HB2' ' HA ' ' A' 4510 ' ' ALA . 40.6 m0 -105.43 -29.53 10.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.822 0.344 . . . . 0.0 110.918 -174.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.562 ' HG ' ' H ' ' A' 4517 ' ' TYR . 10.0 tp -143.49 -178.42 5.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.948 174.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . 0.562 ' H ' ' HG ' ' A' 4516 ' ' LEU . 43.9 p90 -137.27 161.68 35.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.915 -174.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.7 t80 -57.52 -44.25 84.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.91 -161.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -62.95 -38.44 91.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.924 -174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -77.26 -40.39 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.43 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.579 ' HA3' HD21 ' A' 4511 ' ' LEU . . . -63.79 -45.37 94.5 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -177.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 94.7 mm-40 -64.4 -36.21 83.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.881 0.372 . . . . 0.0 110.941 178.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -63.39 -44.33 95.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 178.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 18.4 m-30 -78.96 -41.71 28.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.825 -176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 87.6 mt -69.68 -36.76 76.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.925 -171.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.44 -41.34 96.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 179.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 66.7 t -68.04 -41.74 84.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.077 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -64.27 -39.52 94.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.941 -178.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.419 ' HB2' HD12 ' A' 4562 ' ' LEU . 77.9 t80 -65.66 -41.19 92.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.967 176.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . 0.459 HD21 ' HB ' ' A' 4565 ' ' VAL . 65.1 mt -65.14 -32.24 73.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.935 -175.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 76.3 p -86.42 -41.44 14.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 -178.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -165.29 -85.99 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 174.497 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -136.02 -173.42 12.97 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.623 -0.799 . . . . 0.0 112.416 176.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 71.4 mt -82.8 139.56 33.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.74 0.305 . . . . 0.0 110.904 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 42.2 mm -78.52 134.21 28.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.093 -170.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.53 ' HG2' ' H ' ' A' 4538 ' ' ASP . 88.3 tt0 -147.48 135.31 10.68 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 0.0 110.884 176.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.451 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 74.4 Cg_exo -55.62 -29.88 72.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.468 -177.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.53 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -66.39 -66.77 0.51 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.882 -179.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.586 HG21 HG23 ' A' 4543 ' ' VAL . 6.0 t -50.06 150.43 4.19 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.623 0.725 . . . . 0.0 111.075 175.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.415 ' HD2' ' OG1' ' A' 4539 ' ' THR . 29.3 Cg_endo -56.07 -16.5 16.86 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.665 2.243 . . . . 0.0 112.329 172.226 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -175.07 -75.05 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.469 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -105.58 145.95 30.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 0.0 110.917 -171.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . 0.586 HG23 HG21 ' A' 4539 ' ' THR . 94.3 t -117.83 125.98 27.63 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.654 0.74 . . . . 0.0 111.126 167.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -53.98 142.64 64.19 Favored 'Trans proline' 0 C--O 1.233 0.262 0 C-N-CA 122.674 2.249 . . . . 0.0 112.412 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 53.3 tp -57.87 -42.2 84.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.943 -179.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -64.04 -37.33 87.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 178.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -69.66 -35.24 74.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.62 -35.19 79.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.114 176.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 45.7 mt -65.86 -46.44 78.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.896 -178.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -71.32 -26.31 62.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 176.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 50.0 ttm-85 -75.17 -24.31 57.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.881 179.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 93.35 -9.54 74.3 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.496 175.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.508 HG23 HG13 ' A' 4554 ' ' VAL . 11.4 t -67.25 -24.7 65.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 111.2 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.508 HG13 HG23 ' A' 4553 ' ' THR . 35.2 m -126.74 161.31 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.089 173.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.7 169.25 8.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.884 172.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -59.2 -37.5 77.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.103 179.258 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -62.57 -41.24 98.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 -177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 96.4 m -72.58 -40.56 66.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.09 -38.97 92.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.105 -170.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.5 pt20 -64.43 -31.51 72.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 -179.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.36 -35.06 78.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 174.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.419 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.6 mm? -68.85 -31.65 70.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 173.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.0 -26.67 59.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.823 175.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 52.4 t0 -89.56 63.86 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 176.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . 0.459 ' HB ' HD21 ' A' 4530 ' ' LEU . 34.6 m -64.81 -22.78 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.105 -177.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -64.63 -18.54 63.87 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.439 179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.85 65.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.127 174.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 82.5 t80 -71.57 133.57 45.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 -175.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 37.2 t -67.74 138.59 56.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.895 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 89.9 mttt -89.43 138.97 30.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.938 -176.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -138.59 18.39 2.71 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -171.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 87.6 mt -110.38 144.28 39.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.981 176.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 86.9 m -97.43 131.63 43.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.177 -169.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 51.6 t -116.02 132.2 23.35 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.626 0.727 . . . . 0.0 110.877 -179.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 90.5 Cg_endo -80.98 66.69 8.81 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.642 2.228 . . . . 0.0 112.321 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' 4576 ' ' LYS . 88.7 tttt -155.1 54.75 0.65 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.922 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.666 ' O ' HG22 ' A' 4577 ' ' THR . 45.7 m 63.43 11.83 5.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.097 175.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.403 ' C ' HD12 ' A' 4579 ' ' LEU . 65.3 pttt -143.22 173.95 11.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -177.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.403 HD12 ' C ' ' A' 4578 ' ' LYS . 7.4 mp -121.72 -52.69 2.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.963 -176.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.499 ' HE3' ' HG3' ' A' 4403 ' ' GLN . 75.6 mmtt -74.66 106.73 6.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 -167.739 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 30.0 pt -131.79 153.13 38.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 161.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 67.4 p -82.64 173.41 11.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -176.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.476 ' O ' ' HG ' ' A' 4587 ' ' LEU . 41.1 m-85 -62.12 -37.43 85.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 172.11 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -65.88 -38.79 89.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.927 174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -67.16 -46.33 74.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.931 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -69.34 -40.95 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 -177.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' 4583 ' ' TYR . 95.1 mt -66.88 -28.72 68.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 -178.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' A' 4413 ' ' GLU . 35.0 t70 -66.68 -31.14 71.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 174.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -103.51 -2.28 27.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 36.8 t -67.5 135.31 52.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.965 177.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.4 mtp -99.65 145.85 27.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.499 HG12 ' H ' ' A' 4594 ' ' GLU . 93.9 t -87.08 117.46 31.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' 4594 ' ' GLU . 15.1 tm-20 -70.06 -19.55 63.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.969 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.499 ' H ' HG12 ' A' 4592 ' ' VAL . 95.5 mt-10 67.29 49.54 1.05 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 -177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -125.77 -101.88 1.3 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.541 176.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 30.1 m -134.88 79.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.93 0.395 . . . . 0.0 111.242 178.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 69.24 27.27 73.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.504 -177.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.1 mt -100.18 89.98 4.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.776 0.322 . . . . 0.0 110.889 -173.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 55.6 mmm-85 -88.35 139.12 30.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 172.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 48.4 mt -111.09 135.68 51.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 -176.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 65.2 tp -87.19 122.67 31.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.927 176.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -70.63 131.97 44.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 -178.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.7 156.21 42.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.053 171.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -141.49 54.62 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 -177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' 4439 ' ' LEU . . . 64.66 28.65 13.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.865 -179.451 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.501 ' SD ' ' HA2' ' A' 4597 ' ' GLY . 97.3 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 110.18 -86.68 0.44 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -159.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 64.7 t60 -48.29 108.3 0.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 110.909 170.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.474 ' HE2' ' N ' ' A' 4392 ' ' MET . 99.6 m-70 -142.38 75.64 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.795 175.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.403 ' O ' ' C ' ' A' 4397 ' ' HIS . 11.2 p80 -163.74 -136.05 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' 4396 ' ' HIS . 52.9 t-80 -37.51 133.33 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.847 -179.545 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -104.92 -170.98 1.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.816 -161.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4400 ' ' SER . 88.5 m-70 -105.0 -158.66 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.814 -171.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' 4399 ' ' HIS . 47.5 t -38.67 125.61 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -173.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -155.15 -161.36 1.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.925 -172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 99.4 mmm -92.1 -124.96 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.929 -178.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -103.6 100.74 10.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.897 -169.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 96.2 mt -127.98 176.11 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 169.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -53.32 -25.5 15.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.049 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 98.1 p -137.55 168.84 18.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 177.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . 0.734 ' O ' ' CE3' ' A' 4407 ' ' TRP . 86.3 t90 -158.68 55.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 40.8 t -164.23 121.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 174.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 56.0 t0 -155.27 70.19 5.55 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.63 0.728 . . . . 0.0 110.857 -178.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 89.2 Cg_endo -75.2 72.1 4.89 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 176.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 86.3 m -133.25 118.08 18.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.128 -172.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 87.8 tt0 -122.12 110.22 15.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.804 172.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -120.28 146.73 45.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.842 -174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 64.1 p -124.9 149.28 47.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.161 173.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -152.83 -134.52 2.05 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.497 -166.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -77.07 170.07 20.39 Favored 'Trans proline' 0 C--O 1.233 0.231 0 C-N-CA 122.672 2.248 . . . . 0.0 112.368 -169.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.437 HG11 ' HB2' ' A' 4601 ' ' LEU . 72.5 t -75.44 137.66 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.131 175.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -89.38 -36.99 15.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.088 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -154.1 -177.91 28.0 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.493 -176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . 0.61 HD11 ' CD1' ' A' 4448 ' ' LEU . 47.2 mm -111.05 135.2 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.887 0.375 . . . . 0.0 111.128 -172.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.419 HD23 ' C ' ' A' 4421 ' ' LEU . 6.8 tt -125.25 123.86 40.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.406 ' HB3' ' HB2' ' A' 4427 ' ' GLU . 68.1 t0 -82.2 111.48 18.34 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 171.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 85.0 m -63.04 -25.37 68.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.144 -172.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -48.2 -47.85 35.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.056 0.455 . . . . 0.0 110.936 -177.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . 0.437 ' OG1' ' HG3' ' A' 4427 ' ' GLU . 43.0 p -139.07 24.16 2.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.164 175.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 77.7 mt 55.68 47.87 19.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . 0.437 ' HG3' ' OG1' ' A' 4425 ' ' THR . 97.6 mt-10 -81.65 82.64 7.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 62.8 pttt -69.56 123.18 20.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.934 177.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -138.3 164.81 26.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.119 -178.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 69.6 p -70.54 168.72 15.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.807 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.68 -43.25 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.123 178.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 41.8 m -66.42 -42.08 88.3 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.135 177.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -64.7 -36.8 85.46 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.477 ' HA ' ' HB3' ' A' 4438 ' ' ASN . . . -65.36 -42.93 92.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 77.0 mtm -66.33 -30.27 70.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 177.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.543 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.2 t60 -60.45 -38.23 83.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -170.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.543 ' HB3' ' O ' ' A' 4436 ' ' HIS . 18.2 ptp180 166.7 41.07 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.917 174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' 4434 ' ' ALA . 21.3 t-20 -90.12 -53.03 4.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.769 177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 3.2 pp 179.16 -26.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 174.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 13.6 m -81.39 159.77 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.139 -177.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 53.0 p30 -106.66 179.31 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 177.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.8 t30 -59.13 -35.06 72.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.935 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.2 mm -64.54 -43.67 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.2 m -64.75 -43.95 91.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.18 -179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.69 -39.51 97.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.523 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -64.33 -41.91 96.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.922 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 16.0 mmp_? -67.54 -39.21 85.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.837 -178.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . 0.61 ' CD1' HD11 ' A' 4420 ' ' ILE . 83.7 mt -68.07 -40.91 82.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.937 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.66 -38.43 83.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.824 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -62.34 -40.3 95.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 173.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.73 -39.51 91.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.082 -176.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.94 -40.65 87.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 177.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.47 -35.67 81.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.048 179.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 58.8 m -64.28 -38.03 89.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 70.7 p -80.2 -23.13 41.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 178.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 175.01 -115.03 0.53 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -103.35 -175.41 26.25 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.469 171.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.15 126.58 35.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.743 0.306 . . . . 0.0 111.167 173.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 94.8 mt -103.31 117.62 49.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 -167.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 12.9 t0 -80.07 129.89 68.41 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.66 0.743 . . . . 0.0 110.875 -175.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -69.34 -5.42 15.9 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.663 2.242 . . . . 0.0 112.319 179.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 58.6 m -59.37 -43.94 92.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.831 176.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.4 t -174.93 24.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.092 179.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 80.67 25.41 56.47 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.448 172.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -71.52 145.72 48.96 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 175.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 66.6 ttp85 -104.81 125.56 50.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 -177.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . 0.454 ' HA ' ' HD3' ' A' 4468 ' ' PRO . 89.6 m-85 -137.94 149.44 64.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.66 0.743 . . . . 0.0 110.93 176.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' 4467 ' ' PHE . 26.4 Cg_exo -60.66 154.36 55.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.64 2.227 . . . . 0.0 112.34 170.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 31.0 m -59.24 -37.42 68.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.106 175.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.3 m -65.75 -39.91 91.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.112 -176.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -73.31 -38.05 65.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 174.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.512 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.09 -34.18 77.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.012 -174.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.49 HG21 ' HA ' ' A' 4480 ' ' LYS . 54.1 t -66.36 -39.36 83.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 176.018 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -72.21 -33.12 67.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -178.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -157.32 55.08 0.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -175.308 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.512 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -155.19 -135.01 1.96 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.507 179.537 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -133.78 21.51 3.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.354 . . . . 0.0 110.84 -175.047 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.6 t -102.9 140.09 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.09 179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . 0.439 ' HB3' HG12 ' A' 4481 ' ' ILE . 94.8 m-20 -77.03 138.35 39.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 173.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' 4473 ' ' VAL . 59.5 pttt -57.98 -31.59 67.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' 4479 ' ' ASP . 21.7 pt -70.95 -11.91 15.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.18 -174.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.7 mtt -101.29 -3.51 28.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.866 -174.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' 4473 ' ' VAL . 70.9 t -62.72 -55.04 26.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -173.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -66.12 -36.28 82.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.857 -178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 45.2 ttm-85 -64.73 -42.13 95.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 97.9 mt -87.86 -23.94 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.026 -173.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.68 -31.64 70.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.866 -168.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.427 HD12 ' HE3' ' A' 4491 ' ' LYS . 29.6 tp -62.23 -35.37 78.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 178.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.55 -36.9 81.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.166 177.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -67.11 -38.14 85.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 174.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.427 ' HE3' HD12 ' A' 4488 ' ' LEU . 51.9 mtmt -69.27 -36.58 77.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.39 80.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.103 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 79.4 t80 -71.18 -42.49 68.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.942 174.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 37.1 t -153.28 85.03 1.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.868 -178.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 175.78 -172.58 45.58 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.429 -178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 68.0 m-85 53.94 44.94 28.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.866 0.365 . . . . 0.0 110.836 -178.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -127.84 158.26 38.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.921 -178.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -63.92 129.52 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.559 0.695 . . . . 0.0 110.854 -176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.427 ' O ' ' HB3' ' A' 4500 ' ' ARG . 83.2 Cg_endo -78.2 68.62 7.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.722 2.282 . . . . 0.0 112.316 -179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.427 ' HB3' ' O ' ' A' 4499 ' ' PRO . 39.7 ptt180 175.19 -34.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.88 -176.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 9.4 t -124.49 -23.48 4.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 76.0 mmtt 59.81 59.98 2.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.973 172.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 9.9 t -51.95 160.65 0.68 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.138 -178.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -116.99 91.57 3.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.959 -174.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 66.5 mtm -116.01 152.23 33.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.904 -172.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 44.1 t -100.3 151.0 21.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.82 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.11 -37.7 80.8 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.102 175.297 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.419 ' HA ' HD11 ' A' 4525 ' ' LEU . . . -64.91 -35.78 82.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.063 177.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.492 ' HG3' ' OG1' ' A' 4553 ' ' THR . 81.9 mt-30 -66.73 -35.07 79.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.952 172.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.568 ' HB2' ' CZ2' ' A' 4515 ' ' TRP . . . -58.34 -35.43 71.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -65.13 -40.91 95.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 -175.458 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 72.1 mmtt -74.5 -31.82 62.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 176.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 86.3 tttt 178.93 138.1 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.929 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 151.76 -77.45 0.22 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.501 169.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' 4510 ' ' ALA . 37.3 p90 -155.02 -44.69 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.793 0.33 . . . . 0.0 110.893 -167.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 8.2 tp -87.39 145.0 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -168.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 30.1 p90 -94.99 161.72 14.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.007 -178.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 86.8 t80 -57.12 -44.21 83.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -166.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.92 -38.53 88.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.908 -171.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -74.57 -46.54 38.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.167 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.45 -39.06 97.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.493 -178.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -62.5 -39.12 92.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.82 0.343 . . . . 0.0 110.996 -177.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 75.5 mtp85 -66.56 -42.88 86.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 177.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 11.5 m-30 -73.07 -36.43 66.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -173.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4534 ' ' LEU . 95.4 mt -70.88 -33.54 70.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.923 178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . 0.411 ' O ' ' HG ' ' A' 4530 ' ' LEU . 40.2 tt0 -60.93 -45.89 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -175.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 70.2 t -68.21 -40.39 82.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.098 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -64.22 -38.65 91.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 80.0 t80 -66.12 -44.28 84.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 174.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' 4526 ' ' GLU . 82.1 mt -65.86 -30.25 70.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.969 -174.187 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 69.4 p -87.23 -47.44 8.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.14 177.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -155.57 -94.88 0.1 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.45 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.45 -177.39 14.93 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.402 175.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.522 HD22 HD22 ' A' 4525 ' ' LEU . 55.9 mt -80.31 135.67 36.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.773 0.32 . . . . 0.0 110.881 -177.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.8 mt -91.05 139.36 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -167.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.41 ' HA ' ' HD3' ' A' 4537 ' ' PRO . 88.3 tt0 -144.7 127.07 8.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.637 0.732 . . . . 0.0 110.837 170.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' 4536 ' ' GLU . 73.0 Cg_exo -55.3 -31.96 79.01 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.701 2.267 . . . . 0.0 112.441 -176.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 62.7 t0 -63.53 -61.84 2.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 175.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.568 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 38.2 p -60.9 164.16 8.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.616 0.722 . . . . 0.0 111.109 174.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.568 ' HD2' ' HB ' ' A' 4539 ' ' THR . 73.1 Cg_endo -74.01 68.09 4.92 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.647 2.232 . . . . 0.0 112.377 176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 85.3 -113.06 3.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.51 176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 86.9 mtm180 -91.33 144.43 25.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.888 0.375 . . . . 0.0 110.883 -170.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 75.2 t -123.23 127.26 25.69 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-O 121.663 0.744 . . . . 0.0 111.078 -178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 67.2 Cg_exo -50.76 139.24 40.31 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.654 2.236 . . . . 0.0 112.318 174.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.415 HD11 ' HA ' ' A' 4559 ' ' ALA . 44.9 tp -58.24 -40.61 82.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 -176.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -63.76 -37.17 86.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.821 177.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 76.0 tt0 -70.51 -34.02 71.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 175.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.47 -35.16 76.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.136 174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.62 -47.62 72.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 178.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.0 pt20 -71.8 -24.96 61.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.924 -177.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -79.49 -17.5 54.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.793 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.34 -3.3 87.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 175.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.492 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 14.6 t -67.18 -22.91 65.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.907 0.384 . . . . 0.0 111.192 -179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.425 HG13 HG23 ' A' 4553 ' ' THR . 29.2 m -130.38 159.35 42.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.146 168.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 59.2 p30 -109.01 -177.47 3.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 172.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.92 -39.72 92.99 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.047 -176.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.1 -40.48 96.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.908 -178.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 83.6 m -70.84 -40.76 72.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.178 178.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.415 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -67.16 -42.77 83.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.044 -174.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -65.7 -31.42 72.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 91.0 mttt -65.45 -37.37 86.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 174.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.458 ' HA ' HD13 ' A' 4562 ' ' LEU . 2.6 mm? -71.62 -29.86 65.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.922 175.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -73.55 -23.72 60.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -83.72 -40.18 19.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -174.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 30.2 m -63.01 -24.76 36.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.166 -173.112 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -70.38 -25.06 76.23 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -92.89 -37.23 12.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.1 t80 -73.84 136.16 43.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 60.0 m -63.94 136.58 57.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.633 ' O ' ' CB ' ' A' 4571 ' ' TYR . 60.5 tptt -88.26 -64.37 1.16 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.166 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.719 ' O ' ' CG ' ' A' 4571 ' ' TYR . 39.6 t80 150.86 37.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.923 176.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 55.7 mt -108.87 132.92 53.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.929 170.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . 0.418 HG23 ' H ' ' A' 4579 ' ' LEU . 98.0 m -103.63 130.3 51.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -173.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.527 ' HB2' ' HB2' ' A' 4579 ' ' LEU . 73.5 m -79.4 165.12 50.39 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.734 . . . . 0.0 110.876 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 91.5 Cg_endo -79.08 65.7 8.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.738 2.292 . . . . 0.0 112.298 -174.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.432 ' HB3' ' CD2' ' A' 4579 ' ' LEU . 88.2 tttt -141.72 -72.76 0.33 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 174.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.418 HG22 ' HG3' ' A' 4578 ' ' LYS . 87.2 m -149.12 -79.95 0.13 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.135 -177.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.418 ' HG3' HG22 ' A' 4577 ' ' THR . 98.4 mttt -140.96 81.05 1.78 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' 4574 ' ' CYS . 2.7 mm? -115.62 53.99 0.82 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.988 -174.178 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.52 109.6 0.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 178.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 33.2 pt -131.54 168.53 23.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.205 -174.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.9 p -62.87 159.46 16.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.463 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -64.22 -41.78 96.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.912 -178.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -68.51 -40.92 80.62 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.889 177.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.73 -36.37 83.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.105 178.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' 4583 ' ' TYR . 72.9 mt -66.76 -37.29 84.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -67.59 -28.12 67.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.803 175.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -97.57 -0.33 46.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 -178.434 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.7 p -67.29 162.91 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 177.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.6 ttm -113.8 126.22 54.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 177.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 88.4 t -87.57 126.55 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.138 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -47.0 -52.14 15.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -176.201 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -174.99 -65.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 178.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -178.66 54.76 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.484 175.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 71.4 p -128.14 14.46 6.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.781 0.324 . . . . 0.0 111.164 179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . 0.501 ' HA2' ' SD ' ' A' 4392 ' ' MET . . . 83.16 31.25 28.9 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.53 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 86.9 mt -120.71 102.09 8.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.75 0.31 . . . . 0.0 110.866 -177.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 64.0 mtp85 -90.11 129.85 36.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 168.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 67.3 mt -116.24 138.64 51.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.437 ' HB2' HG11 ' A' 4417 ' ' VAL . 59.9 tp -87.54 122.18 30.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -78.97 129.28 34.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -177.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -150.42 159.41 44.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.084 171.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.476 ' O ' ' HB3' ' A' 4605 ' ' ALA . . . -136.82 43.17 2.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -178.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' 4604 ' ' ALA . . . 70.82 -80.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.119 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 32.0 tt0 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 178.91 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.483 ' HG3' HD13 ' A' 4488 ' ' LEU . 37.8 mmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.761 0.315 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.674 ' O ' ' C ' ' A' 4394 ' ' HIS . . . 154.2 -60.31 0.39 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.458 161.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.674 ' C ' ' O ' ' A' 4393 ' ' GLY . 86.3 t60 6.52 92.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 110.859 172.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 82.0 t60 -163.57 116.38 1.49 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.875 176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.769 ' O ' ' CB ' ' A' 4397 ' ' HIS . 23.1 p80 -159.82 76.06 0.64 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 173.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.769 ' CB ' ' O ' ' A' 4396 ' ' HIS . 86.4 t60 124.96 155.07 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 176.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 33.3 p80 -162.98 166.5 23.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 174.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -119.3 138.63 52.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 44.7 t -155.99 108.76 2.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 171.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -135.68 89.29 2.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 27.8 ptm -152.61 166.78 31.01 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -171.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -144.95 178.71 7.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 177.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 33.8 tp -85.07 82.2 8.54 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 176.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -144.62 55.04 1.25 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.07 -179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.0 p -152.67 165.91 33.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.792 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . 0.511 ' O ' ' CE3' ' A' 4407 ' ' TRP . 69.6 p-90 -169.28 26.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.867 179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 41.7 t -152.4 123.5 7.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.947 -174.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 63.6 t0 -153.35 87.5 3.86 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.573 0.701 . . . . 0.0 110.906 -179.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -72.8 166.0 31.19 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.651 2.234 . . . . 0.0 112.416 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 97.7 m -89.32 -52.86 4.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.191 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 48.48 69.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.986 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -58.84 123.02 15.04 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.912 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 70.6 p -132.04 -171.63 2.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.108 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -109.4 159.36 14.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -61.11 138.84 80.67 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.66 2.24 . . . . 0.0 112.337 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 99.4 t -74.82 127.01 36.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.178 176.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -91.11 -39.56 12.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -173.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -164.38 -170.37 29.23 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.489 -172.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 31.7 mm -111.23 140.2 31.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.872 0.368 . . . . 0.0 111.097 -172.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' 4421 ' ' LEU . 8.0 tt -122.24 124.58 44.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.951 175.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' 4426 ' ' LEU . 64.3 t0 -82.54 110.06 17.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.818 173.273 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.4 m -64.86 -25.13 67.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.119 -172.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -60.58 -29.91 69.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.881 -176.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 22.9 p -137.88 4.07 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.117 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' 4422 ' ' ASP . 88.0 mt 54.55 41.59 31.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -174.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -84.86 106.34 16.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.961 179.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 51.0 mtmt -63.45 112.94 2.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 166.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.9 m -126.35 161.03 33.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.121 179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 97.2 p -76.77 166.64 23.09 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.868 -177.283 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 38.5 mm -59.6 -41.39 84.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.154 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 65.7 m -65.48 -40.85 93.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -177.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.95 -42.97 89.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -71.08 -40.27 71.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.063 173.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 59.0 ttp -65.2 -20.11 66.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -177.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.517 ' O ' ' HB2' ' A' 4437 ' ' ARG . 85.3 t60 -55.9 -17.47 6.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.97 175.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.517 ' HB2' ' O ' ' A' 4436 ' ' HIS . 88.7 mtm-85 81.96 34.7 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.841 -172.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -89.26 -30.05 18.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 156.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 57.9 mt -117.77 -57.9 2.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.955 176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 10.1 m -124.69 174.51 8.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.159 -164.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 22.8 t0 -90.41 168.75 11.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 -179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.1 t30 -60.58 -39.69 88.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 175.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.0 mm -65.0 -35.95 76.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.101 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 90.4 m -62.77 -44.37 96.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -65.03 -38.49 95.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.44 173.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -63.19 -43.0 99.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.946 -175.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 15.9 mmp_? -67.54 -39.39 85.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 98.2 mt -69.33 -41.43 76.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -178.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.54 -35.6 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -62.17 -42.08 98.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.844 173.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.89 -37.63 86.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -71.17 -34.66 71.16 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.928 176.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.92 -36.9 85.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.066 174.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . 0.463 ' HA ' ' CZ ' ' A' 4524 ' ' PHE . 71.1 m -66.39 -26.11 67.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.877 176.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 44.5 p -98.27 41.04 1.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.111 175.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 90.11 -121.71 6.29 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -84.99 164.4 38.84 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.498 -177.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . 0.402 ' N ' ' O ' ' A' 4467 ' ' PHE . 43.7 mm -66.92 134.63 29.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.93 0.395 . . . . 0.0 111.107 172.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 95.1 mt -105.86 117.68 52.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.149 -166.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.4 t0 -84.85 119.71 72.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.596 0.712 . . . . 0.0 110.841 171.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.2 Cg_endo -62.3 107.38 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.307 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 42.7 t -170.23 -54.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -172.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 12.6 t -172.25 25.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -174.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 88.5 38.97 6.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 69.0 mm-40 -72.02 149.89 44.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.801 0.334 . . . . 0.0 110.847 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 90.2 mmt-85 -129.77 124.08 32.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.832 175.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' 4458 ' ' ILE . 92.9 m-85 -133.72 138.15 30.32 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.691 0.758 . . . . 0.0 110.912 174.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -53.96 154.66 16.77 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.369 172.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 68.3 t -62.75 -45.07 99.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.192 -175.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 91.3 m -67.85 -37.63 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.139 178.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 38.7 t70 -69.37 -37.11 77.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' 4476 ' ' GLY . . . -64.1 -33.97 76.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.084 -179.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 63.5 t -66.82 -39.73 84.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 174.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -73.87 -33.06 63.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -177.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.5 tttt -156.81 54.9 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -175.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' 4472 ' ' ALA . . . -156.19 -133.8 1.72 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.52 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.594 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -135.91 47.54 2.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 -179.13 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 63.2 t -125.09 137.56 57.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 175.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 59.4 t0 -78.73 136.6 37.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 176.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 1.3 tmmt? -56.88 -28.02 61.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.873 -174.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.3 pt -66.66 -14.88 18.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.108 -176.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.1 mtt -97.29 -3.9 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -174.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 53.3 t -59.65 -47.54 90.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -176.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.97 -43.77 78.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.831 -174.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 12.1 ptp85 -76.5 -36.4 57.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -171.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 49.3 mm -81.13 -22.19 10.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.138 -176.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -61.72 -35.89 79.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -172.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.483 HD13 ' HG3' ' A' 4392 ' ' MET . 55.9 tp -62.09 -36.63 82.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 176.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -67.7 -37.71 82.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 175.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -65.92 -38.83 89.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.965 177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 51.3 mtmt -66.04 -37.45 85.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -66.57 -34.56 78.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.062 -170.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 67.0 t80 -80.45 -46.19 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.867 176.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 43.8 t -161.44 110.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 149.84 -33.16 1.07 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.402 178.087 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 33.0 t80 -66.98 -36.32 81.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.684 0.278 . . . . 0.0 110.824 -178.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 22.8 pm0 -54.45 159.06 2.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -177.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -67.46 148.71 98.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.56 0.695 . . . . 0.0 110.869 177.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.9 -177.5 3.48 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.359 177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 74.98 -58.57 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 175.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.69 -27.72 13.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 46.24 78.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.1 t -83.96 -172.2 4.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 94.3 mttt -127.13 155.22 43.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -178.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 24.4 ptp -163.46 152.92 14.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 178.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 54.7 p -94.72 156.28 16.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 171.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.68 -37.38 81.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.032 171.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -64.17 -38.11 89.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.032 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.409 ' HG3' ' OG1' ' A' 4553 ' ' THR . 72.2 mt-30 -66.95 -37.14 83.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.959 173.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.631 ' HB1' ' H ' ' A' 4516 ' ' LEU . . . -64.2 -36.04 82.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.122 177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.425 HD11 ' HA3' ' A' 4521 ' ' GLY . 0.8 OUTLIER -65.26 -23.21 66.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.08 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . 0.638 ' O ' ' CB ' ' A' 4513 ' ' LYS . 34.0 mmtp -58.58 -16.72 17.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 177.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.638 ' CB ' ' O ' ' A' 4512 ' ' LYS . 82.3 tttt 102.62 102.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 169.231 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 154.56 -22.19 0.63 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.52 -177.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 33.0 m0 -121.46 -80.88 0.63 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.712 0.292 . . . . 0.0 110.863 -177.369 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.631 ' H ' ' HB1' ' A' 4510 ' ' ALA . 9.8 tp -103.95 152.33 22.11 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.391 . . . . 0.0 110.808 -168.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . 0.41 ' CE2' ' HB2' ' A' 4519 ' ' GLU . 44.9 t80 -70.27 132.81 46.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.905 -177.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 45.5 t80 -56.47 -49.16 75.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.944 -161.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . 0.41 ' HB2' ' CE2' ' A' 4517 ' ' TYR . 59.6 mt-10 -64.83 -36.17 83.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -175.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -68.64 -45.78 70.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.118 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.425 ' HA3' HD11 ' A' 4511 ' ' LEU . . . -65.05 -35.43 91.82 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.542 171.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 70.6 tp60 -62.03 -38.58 89.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.754 0.311 . . . . 0.0 110.875 176.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 16.3 mmp_? -66.94 -35.54 80.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 170.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . 0.463 ' CZ ' ' HA ' ' A' 4454 ' ' CYS . 3.0 t80 -68.41 -34.06 75.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 -178.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.8 mt -74.98 -39.02 61.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 176.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -66.02 -45.4 81.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.954 -174.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 55.5 t -66.85 -43.72 89.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.124 -171.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . 0.775 HE21 ' HA ' ' A' 4528 ' ' GLN . 0.1 OUTLIER -67.34 -38.74 85.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 175.292 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 72.3 t80 -61.88 -37.16 83.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 -179.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.36 -29.22 68.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 68.5 p -92.96 -37.39 12.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.074 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -158.12 -95.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.511 -177.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -127.74 -145.86 6.22 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.554 -177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 34.2 mt -96.73 159.48 14.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.865 0.365 . . . . 0.0 110.89 178.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 27.6 mm -76.93 130.08 36.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 177.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.474 ' OE1' HG21 ' A' 4543 ' ' VAL . 84.1 tt0 -149.96 120.26 3.9 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-O 121.665 0.745 . . . . 0.0 110.903 167.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -71.55 -17.36 30.11 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.686 2.257 . . . . 0.0 112.377 -175.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -71.1 -32.97 69.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.944 176.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.416 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 42.5 p -92.83 158.15 38.32 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.557 0.694 . . . . 0.0 111.144 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.416 ' HD2' ' HB ' ' A' 4539 ' ' THR . 27.7 Cg_endo -63.88 -24.84 67.64 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.582 2.188 . . . . 0.0 112.34 -177.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -155.0 -99.89 0.17 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -178.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 76.8 mtm180 -120.37 141.1 50.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 110.872 -167.31 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . 0.474 HG21 ' OE1' ' A' 4536 ' ' GLU . 85.7 t -107.67 126.61 29.5 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.6 0.714 . . . . 0.0 111.148 -177.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -53.57 139.44 66.48 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.634 2.223 . . . . 0.0 112.315 174.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 60.2 tp -59.2 -40.58 86.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.62 -35.74 81.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 177.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . 0.403 ' HA ' ' HG2' ' A' 4550 ' ' GLN . 39.7 tt0 -69.62 -34.97 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 175.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -62.98 -37.58 87.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.982 175.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 30.4 mt -66.67 -46.3 76.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.858 -178.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . 0.403 ' HG2' ' HA ' ' A' 4547 ' ' GLU . 21.5 pt20 -71.75 -26.64 62.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.914 178.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 48.0 ttm-85 -75.51 -24.9 56.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.879 177.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.81 -2.22 66.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 173.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.439 HG23 HG13 ' A' 4554 ' ' VAL . 12.3 t -74.23 -24.49 59.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.857 0.361 . . . . 0.0 111.179 -175.164 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.439 HG13 HG23 ' A' 4553 ' ' THR . 35.3 m -120.49 162.37 19.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.107 170.195 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 55.2 p30 -112.0 179.89 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 170.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.59 -41.16 97.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.098 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -64.36 -39.93 94.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 -175.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 86.9 m -72.67 -39.97 66.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.159 176.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -64.99 -40.34 94.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.113 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -65.02 -30.85 71.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.987 -178.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 95.1 mttt -64.99 -36.32 84.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.881 173.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' 4562 ' ' LEU . 3.0 mm? -73.88 -30.95 62.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 175.428 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -74.74 -25.1 58.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -119.94 39.89 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -174.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 31.6 m -68.29 -27.35 36.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.181 172.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.92 -16.44 79.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.505 177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -65.34 -30.58 71.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.843 0.354 . . . . 0.0 111.159 178.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 83.7 t80 -68.36 136.42 53.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.936 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 92.6 p -64.68 162.48 15.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.891 -176.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.639 ' HD2' ' H ' ' A' 4570 ' ' LYS . 11.7 mptt -59.37 173.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.884 -171.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 29.6 p90 -171.62 -24.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 -165.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.482 ' HB3' HG13 ' A' 4581 ' ' ILE . 1.2 tt -90.23 125.24 35.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.99 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.4 m -96.36 127.31 42.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 -179.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.7 t -130.46 89.41 44.25 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.576 0.703 . . . . 0.0 110.895 176.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -65.83 98.22 0.35 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.724 2.283 . . . . 0.0 112.353 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 57.5 tttm -169.94 -44.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 176.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 84.8 m -150.09 -74.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 88.5 tttt -98.13 92.25 5.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 174.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 8.5 mp -64.98 -38.07 89.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.963 -173.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 88.2 tttt -86.53 96.66 10.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.908 -172.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.482 HG13 ' HB3' ' A' 4572 ' ' LEU . 42.6 pt -135.08 164.88 32.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.094 -176.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 55.5 p -88.14 174.86 8.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 169.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.432 ' O ' ' HG ' ' A' 4587 ' ' LEU . 19.4 t80 -66.27 -39.79 89.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.863 175.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 20.9 ttpp -64.16 -37.79 88.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.877 176.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . 0.403 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 96.9 m-20 -61.94 -40.1 94.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.885 175.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.31 -39.43 92.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.128 173.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.2 mt -67.2 -32.71 73.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.929 179.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -69.15 -29.5 67.54 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.883 -179.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 71.2 mtp85 -103.94 -5.84 21.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.864 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 29.0 t -59.12 139.49 56.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 95.6 mtp -101.73 144.24 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.792 -175.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.521 HG12 ' H ' ' A' 4594 ' ' GLU . 79.9 t -91.35 123.88 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.104 179.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -68.83 -19.84 64.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.832 -173.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.521 ' H ' HG12 ' A' 4592 ' ' VAL . 94.7 mt-10 65.26 56.15 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -155.0 -95.15 0.11 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.489 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 46.7 p -104.73 29.46 6.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.898 0.38 . . . . 0.0 111.147 -179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 79.82 25.2 58.66 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.544 177.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 80.5 mt -79.96 117.76 21.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.779 0.323 . . . . 0.0 110.905 -177.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -85.18 132.3 34.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 173.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . 0.442 HD13 HD12 ' A' 4421 ' ' LEU . 54.3 mt -116.06 137.76 51.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.864 179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 55.2 tp -88.6 131.2 35.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.948 -179.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -69.15 129.48 39.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.815 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -148.89 159.57 44.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.057 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.57 ' O ' ' HB2' ' A' 4605 ' ' ALA . . . -134.97 -63.24 0.7 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.02 173.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' 4604 ' ' ALA . . . 165.01 -61.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 -171.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' 4605 ' ' ALA . 71.3 tp60 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 -172.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.535 ' SD ' ' HB2' ' A' 4399 ' ' HIS . 99.8 mmm . . . . . 0 N--CA 1.458 -0.044 0 CA-C-O 120.753 0.311 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . -144.87 74.69 0.31 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.478 143.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -163.32 -162.44 0.75 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 0.0 110.863 -168.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -81.24 -164.03 0.7 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 162.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -72.65 130.09 39.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -145.0 170.03 16.95 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.847 179.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -68.1 -18.24 64.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 174.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . 0.535 ' HB2' ' SD ' ' A' 4392 ' ' MET . 93.5 m-70 -60.93 174.75 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.861 -179.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' 4401 ' ' HIS . 38.6 t -72.45 -137.17 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 -161.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . 0.405 ' N ' ' OG ' ' A' 4400 ' ' SER . 86.3 t60 -49.72 113.53 0.86 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -158.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 12.5 tpt -97.29 147.26 24.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.811 176.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -145.73 100.74 3.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.896 176.355 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 56.1 tp -163.17 147.17 10.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.907 176.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -117.69 60.26 0.77 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -174.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 73.7 m -128.05 126.79 41.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.842 174.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 18.1 m-90 -134.02 77.32 1.7 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 -177.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 75.5 m -131.28 68.39 1.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -176.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . . . . . . . . . 2.8 p30 -158.34 149.16 16.13 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.563 0.697 . . . . 0.0 110.896 176.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -78.7 176.63 9.65 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.734 2.29 . . . . 0.0 112.349 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 44.3 p -116.36 -104.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 175.344 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . 0.434 ' O ' ' HB2' ' A' 4413 ' ' GLU . 11.3 pt-20 175.07 -24.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.804 -175.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' 4412 ' ' GLU . 96.7 mt-10 65.15 -175.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 -173.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 22.3 p 57.58 -157.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -175.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . 0.474 ' HA2' ' HD3' ' A' 4416 ' ' PRO . . . 114.93 133.51 5.49 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.525 178.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' ' HA2' ' A' 4415 ' ' GLY . 34.1 Cg_exo -60.28 -179.99 0.28 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.718 2.279 . . . . 0.0 112.35 177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 81.6 t -46.64 119.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 -173.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -93.98 -31.88 14.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.63 -170.82 24.68 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -172.319 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 43.4 mm -110.19 140.05 30.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.395 . . . . 0.0 111.06 -171.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.413 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -127.72 126.25 41.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.911 175.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.436 ' HB3' ' HB3' ' A' 4427 ' ' GLU . 68.4 t0 -82.06 112.12 18.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 171.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 86.2 m -61.84 -28.4 69.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.154 -175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -50.08 -41.18 47.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.862 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 14.1 t -139.65 13.06 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . . . . . . . . . 4.9 mp 54.94 57.33 5.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.886 -174.081 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . 0.436 ' HB3' ' HB3' ' A' 4422 ' ' ASP . 85.9 tt0 -91.35 110.74 22.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -176.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 87.0 tttt -80.93 116.83 21.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 -179.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.9 m -134.48 160.66 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 175.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.9 p -76.88 171.96 13.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.808 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.0 mm -60.56 -42.16 90.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 175.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 45.0 m -67.77 -42.73 81.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.112 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -66.73 -40.23 88.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 -173.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.513 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -65.47 -39.79 92.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.7 tmm? -70.54 -37.71 74.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 173.559 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -69.79 -34.38 73.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.867 -171.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -102.69 -83.4 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -176.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 23.2 t30 -171.05 100.71 0.21 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.961 -175.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.73 HD11 ' HB3' ' A' 4603 ' ' ALA . 0.3 OUTLIER -174.92 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 171.749 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 11.8 m -138.0 168.79 19.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 54.7 p30 -100.0 175.95 5.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.779 171.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.08 -36.24 76.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 41.5 mm -66.04 -44.78 91.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.128 -175.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 81.9 m -65.53 -42.2 92.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -62.92 -40.26 99.05 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.501 177.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 21.1 tm0? -64.55 -41.67 96.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.828 0.347 . . . . 0.0 110.921 177.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -67.04 -39.36 86.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 74.1 mt -67.79 -40.63 83.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 85.2 mt -67.24 -38.3 84.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.939 175.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -63.24 -37.65 88.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 173.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -66.1 -37.95 87.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.091 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -68.62 -36.12 78.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.929 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' 4486 ' ' ILE . . . -65.02 -36.41 84.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.153 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.9 m -65.87 -23.82 66.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 177.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 63.3 p -98.39 27.47 4.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.071 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 102.78 -113.13 4.48 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.461 176.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -87.46 166.18 36.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.399 -176.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.6 mm -72.53 133.14 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 111.136 173.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 97.7 mt -103.75 118.63 51.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.116 -167.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 65.9 t0 -88.37 120.79 70.52 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.591 0.71 . . . . 0.0 110.862 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.608 ' HA ' HD23 ' A' 4598 ' ' LEU . 38.1 Cg_endo -60.28 110.31 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.65 2.233 . . . . 0.0 112.296 174.132 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 91.1 p 175.93 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.822 -171.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.3 t -174.62 24.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.139 176.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . 0.558 ' H ' HD21 ' A' 4598 ' ' LEU . . . 84.18 30.31 28.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.463 178.222 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.8 mt-10 -72.92 136.7 45.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 178.449 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.7 mtp85 -119.83 130.64 55.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.89 -177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -139.14 148.91 59.16 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.658 0.742 . . . . 0.0 110.902 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -54.82 148.01 48.19 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 171.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . 0.467 HG21 ' HB ' ' A' 4486 ' ' ILE . 13.6 p -56.32 -37.34 50.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 -177.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 84.9 m -68.13 -39.24 82.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.228 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 35.0 t70 -71.88 -36.76 70.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.873 175.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -62.47 -33.83 75.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.11 -174.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 66.9 t -65.4 -38.5 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 176.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 63.4 m-80 -73.31 -28.22 61.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -171.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 46.3 tptt -154.28 55.05 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.846 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -156.14 -136.25 2.12 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.594 178.491 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.583 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -129.51 29.42 5.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.798 0.332 . . . . 0.0 110.876 -176.035 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 51.8 t -111.26 142.69 22.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.123 178.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.1 t70 -90.08 152.81 20.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.781 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.9 mtmt -59.95 -33.72 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.89 -179.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 20.4 pt -72.7 -13.74 16.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.11 -172.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.8 mtt -100.74 -2.67 31.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.811 -174.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' 4487 ' ' ASN . 65.2 t -61.41 -49.73 83.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.098 -174.294 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -66.58 -44.41 82.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -172.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 21.1 ptp180 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.836 -178.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.467 ' HB ' HG21 ' A' 4469 ' ' VAL . 81.3 mt -81.64 -29.75 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -176.461 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' 4483 ' ' VAL . 29.4 t-20 -63.19 -31.8 73.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 42.9 tp -63.86 -38.76 92.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 174.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.69 -41.41 68.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.034 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -69.11 -34.65 75.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 177.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -66.34 -34.63 78.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.863 172.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.43 -15.57 62.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.146 -177.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 84.2 t80 -55.66 -36.05 66.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.995 -177.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 79.6 m -124.4 33.55 5.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 173.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 86.03 152.87 20.93 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.469 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 89.7 t80 -61.89 -62.53 1.72 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.876 0.37 . . . . 0.0 110.947 177.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 32.6 tt0 70.91 152.15 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 170.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -134.27 151.64 76.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-O 121.625 0.726 . . . . 0.0 110.946 177.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -72.81 89.86 0.85 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.672 2.248 . . . . 0.0 112.322 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 175.06 -34.9 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.922 -169.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 2.4 t -129.9 -39.56 1.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.204 178.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 31.6 mmmt 51.6 58.23 5.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.979 176.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.447 ' O ' ' HB2' ' A' 4504 ' ' LYS . 7.3 t -100.06 -21.94 15.41 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.063 -174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . 0.447 ' HB2' ' O ' ' A' 4503 ' ' THR . 97.7 mttt 67.3 137.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 -175.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 1.3 pmm? -154.67 159.61 40.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.95 -172.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 52.4 p -80.88 159.84 24.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.871 170.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -61.54 -38.89 89.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 173.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.44 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -65.79 -38.75 89.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.13 178.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -66.56 -36.86 83.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.929 173.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -64.34 -33.73 76.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.8 OUTLIER -66.82 -36.72 83.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.918 176.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.61 -25.4 66.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.89 177.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -113.54 -173.32 2.24 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -92.23 35.12 4.13 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.541 172.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 45.4 m0 -89.68 -28.6 19.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.774 0.321 . . . . 0.0 110.926 -172.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 43.6 tp -158.11 151.59 23.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.964 -179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . 0.416 ' HB2' ' H ' ' A' 4520 ' ' ALA . 97.7 m-85 -52.75 143.25 16.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.982 177.524 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 39.1 t80 -55.85 -40.93 73.55 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 154.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 -61.43 -45.83 92.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.943 -178.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . 0.416 ' H ' ' HB2' ' A' 4517 ' ' TYR . . . -75.83 -50.9 13.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.076 -178.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -64.64 -40.46 97.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.45 -174.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 61.7 tp60 -61.65 -40.28 94.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.333 . . . . 0.0 110.91 -177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 91.8 mtm-85 -66.72 -36.31 82.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 16.2 m-30 -71.41 -37.79 71.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -178.653 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.96 -36.69 72.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.996 -175.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -64.43 -41.33 96.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.911 -172.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 71.2 t -66.97 -40.07 84.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.149 178.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -64.63 -39.13 93.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.929 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 86.5 t80 -63.68 -40.87 97.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.927 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 86.5 mt -67.0 -30.27 70.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.996 -178.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 72.2 p -86.21 -15.58 40.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.137 177.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 161.51 -87.47 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 174.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -129.29 -173.31 13.37 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.421 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 51.5 mt -88.48 138.08 31.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 -177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -92.18 130.61 41.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.128 -177.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 26.0 pt-20 -145.04 147.94 36.6 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.585 0.707 . . . . 0.0 110.862 176.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -70.19 -14.74 35.06 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.595 2.197 . . . . 0.0 112.311 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -65.1 -29.9 70.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.799 177.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.439 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 52.8 p -117.63 159.03 43.78 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.535 0.683 . . . . 0.0 111.194 -179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.439 ' HD2' ' HB ' ' A' 4539 ' ' THR . 37.5 Cg_endo -64.73 -19.02 64.31 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.657 2.238 . . . . 0.0 112.267 178.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.54 -121.6 1.03 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.482 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 91.2 mtm180 -112.45 146.12 38.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.349 . . . . 0.0 110.862 -170.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 85.3 t -113.69 125.63 29.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.56 0.695 . . . . 0.0 111.134 173.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.14 147.46 44.34 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.725 2.284 . . . . 0.0 112.257 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 48.6 tp -57.36 -43.09 83.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.954 -177.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -64.79 -38.37 90.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -71.02 -34.11 71.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 176.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.79 78.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.144 177.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 28.4 mt -64.55 -46.17 83.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.945 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -72.68 -26.65 61.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.893 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 45.9 ttm-85 -74.72 -24.64 58.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.891 178.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 99.09 -11.31 62.1 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.547 170.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.437 HG23 HG13 ' A' 4554 ' ' VAL . 9.8 t -66.75 -25.92 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.817 0.341 . . . . 0.0 111.155 -175.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.44 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -123.24 160.0 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 172.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.2 p30 -112.51 178.66 4.22 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 169.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.07 -40.84 97.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -63.69 -40.01 95.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 44.6 m -73.36 -39.88 64.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 175.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.78 -39.26 90.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 -171.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.7 pt20 -64.01 -32.09 73.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.01 -35.36 79.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.916 175.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.9 mm? -68.66 -31.07 69.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 173.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -74.24 -27.64 60.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.835 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -71.4 -48.66 48.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 20.4 m -65.74 -22.33 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.163 -177.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.0 -19.22 73.53 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 173.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -97.88 -43.73 6.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 111.101 178.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 86.0 m-85 -88.68 145.37 25.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 -175.291 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 72.4 m -65.27 149.14 50.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.825 174.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 59.4 tptt -92.0 -84.19 0.27 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.504 ' CD2' ' O ' ' A' 4571 ' ' TYR . 72.2 t80 -176.04 54.72 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.908 176.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.417 ' HB2' HG13 ' A' 4581 ' ' ILE . 88.9 mt -111.73 137.87 49.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.936 168.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 98.5 m -92.74 120.84 33.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -175.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 48.9 t -153.33 92.35 3.23 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 121.688 0.756 . . . . 0.0 110.88 172.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -74.87 70.26 5.24 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.757 2.305 . . . . 0.0 112.298 -174.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 75.8 mmtt -127.89 0.53 5.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.882 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' 4578 ' ' LYS . 3.3 t -171.96 -42.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 177.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.619 ' O ' ' N ' ' A' 4580 ' ' LYS . 62.6 pttt -151.46 14.7 0.68 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.793 -172.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 6.9 mp 53.85 -75.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.999 0.428 . . . . 0.0 110.889 179.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.619 ' N ' ' O ' ' A' 4578 ' ' LYS . 87.8 tttt -72.59 114.14 10.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 -172.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' 4572 ' ' LEU . 40.8 pt -128.89 161.74 37.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.056 -176.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -85.11 173.68 10.27 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.903 174.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.431 ' O ' ' HG ' ' A' 4587 ' ' LEU . 40.7 m-85 -63.85 -39.16 93.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 175.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.51 -39.4 93.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.825 178.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 34.6 m-20 -66.52 -39.02 88.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.851 172.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' 4590 ' ' SER . . . -64.68 -39.62 93.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' 4583 ' ' TYR . 97.7 mt -67.14 -37.08 83.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 -177.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -70.0 -30.19 67.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 176.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 84.1 mtt85 -104.53 -0.53 27.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.822 -174.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' 4586 ' ' ALA . 83.9 p -71.68 162.05 30.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.849 176.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 60.0 ttm -123.19 134.23 54.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 85.9 t -89.22 128.27 41.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.184 169.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -49.67 -64.61 0.76 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 -173.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -175.26 -49.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.008 177.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -134.47 115.23 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.471 177.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 76.9 p 41.75 46.93 3.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.158 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . -96.65 16.72 60.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 178.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . 0.608 HD23 ' HA ' ' A' 4461 ' ' PRO . 1.8 mm? 52.19 -166.7 0.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.77 0.319 . . . . 0.0 110.95 -176.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 12.1 mpt_? -87.9 134.23 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 168.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 58.3 mt -109.74 135.68 50.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 168.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.1 tp -80.39 119.27 22.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -178.181 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -83.35 130.04 35.03 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -174.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . 0.73 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -152.04 163.17 39.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.105 171.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -130.05 86.48 2.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.153 -178.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' 4439 ' ' LEU . . . -57.3 -55.73 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 -178.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 89.8 mt-30 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 177.236 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.597 ' N ' ' HG ' ' A' 4406 ' ' SER . 97.7 mtp . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.506 ' O ' ' HB2' ' A' 4394 ' ' HIS . . . 102.79 81.59 1.56 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.526 174.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' 4393 ' ' GLY . 84.0 t60 -178.83 101.77 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.848 0.356 . . . . 0.0 110.808 162.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -131.85 135.31 46.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.823 -165.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . 0.656 ' HA ' ' NE2' ' A' 4490 ' ' GLN . 49.9 p-80 -89.8 179.05 6.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.88 162.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . 0.421 ' O ' ' C ' ' A' 4398 ' ' HIS . 76.6 t60 -57.76 -68.25 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.882 -177.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' 4397 ' ' HIS . 49.6 p-80 24.6 -141.39 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -160.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -100.46 -80.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.794 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 42.4 t -168.39 134.57 1.9 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.842 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 75.8 m80 -123.92 173.87 7.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 168.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 60.5 ttm -133.26 107.04 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 168.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 56.0 tt0 -178.2 150.21 0.58 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -172.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.487 HD22 ' HA ' ' A' 4392 ' ' MET . 52.5 mt -125.85 105.84 9.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.95 177.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -154.66 67.24 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.143 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . 0.597 ' HG ' ' N ' ' A' 4392 ' ' MET . 94.7 p -121.83 166.28 14.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.86 176.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 89.3 m95 -122.43 83.37 2.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . 0.441 ' O ' ' HB2' ' A' 4409 ' ' ASP . 95.3 p -100.58 163.67 12.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' 4408 ' ' SER . 56.6 t0 178.45 -46.39 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.585 0.707 . . . . 0.0 110.828 -179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.434 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 39.0 Cg_endo -83.68 177.19 6.42 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 78.5 m -110.53 -61.68 1.64 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 56.44 -124.52 1.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 175.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 62.91 52.65 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 -177.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 76.8 p -128.17 73.1 1.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.193 177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -89.97 170.32 36.11 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.562 -171.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -65.34 114.68 2.96 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.707 2.271 . . . . 0.0 112.31 178.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 65.0 t 63.07 104.57 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.161 176.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -84.37 -33.99 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -157.84 -172.82 25.48 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -175.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 39.3 mm -111.91 140.11 33.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.844 0.354 . . . . 0.0 111.141 -173.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.482 HD22 ' HG2' ' A' 4602 ' ' GLU . 6.0 tt -128.17 125.01 38.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 176.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' 4426 ' ' LEU . 65.6 t0 -83.61 111.86 19.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.838 172.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 89.3 m -62.87 -24.88 68.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 -170.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -54.54 -36.19 64.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 -176.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 12.8 t -143.04 16.08 1.91 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.066 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' 4422 ' ' ASP . 55.7 mt 55.61 45.52 24.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -177.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -76.32 91.03 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -178.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 39.0 ttpt -68.26 118.21 11.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.953 175.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 35.8 m -134.54 161.88 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.183 178.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 59.5 p -73.18 169.62 16.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 176.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 46.2 mm -61.35 -42.77 94.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.045 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 52.2 m -66.64 -42.48 86.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.116 178.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -64.59 -36.86 85.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -66.09 -44.62 83.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.062 176.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.7 mtm -67.12 -32.39 73.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.924 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.499 ' O ' ' HB3' ' A' 4437 ' ' ARG . 85.1 t60 -61.72 -37.55 84.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.821 -169.065 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.499 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.7 ptp180 170.54 55.96 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 175.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.6 t30 -104.69 -74.91 0.63 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.753 176.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.425 ' H ' ' H ' ' A' 4440 ' ' VAL . 4.2 pp -165.06 -16.49 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -175.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . 0.425 ' H ' ' H ' ' A' 4439 ' ' LEU . 11.3 m -89.24 173.14 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 -179.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 46.8 p30 -113.91 179.26 4.01 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 168.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 90.4 m-20 -58.63 -40.23 82.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 174.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 31.6 mm -65.55 -41.96 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 -170.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.6 m -65.05 -41.46 95.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.127 177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -60.79 -40.61 98.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 174.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -64.05 -41.67 97.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.835 0.35 . . . . 0.0 110.899 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -65.0 -41.6 95.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -177.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 94.4 mt -69.82 -37.42 76.22 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.51 -37.55 87.1 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.891 175.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -64.2 -36.67 84.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 172.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.43 -37.23 86.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.108 177.418 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -70.14 -34.17 72.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 171.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.44 -35.94 82.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 92.2 m -63.37 -23.93 67.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.967 175.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 34.9 p -100.04 40.26 1.26 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.178 167.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 88.88 -114.41 4.26 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.606 -0.807 . . . . 0.0 112.535 172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -86.73 172.25 44.12 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 -175.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 46.0 mm -76.87 132.91 31.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 111.139 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 96.0 mt -103.8 122.1 56.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 -170.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.467 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 66.3 t0 -89.97 116.71 67.03 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.581 0.705 . . . . 0.0 110.803 -175.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.467 ' HD2' ' HA ' ' A' 4460 ' ' ASP . 37.9 Cg_endo -60.48 108.2 0.5 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 2.245 . . . . 0.0 112.401 174.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 84.2 p 175.06 -47.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.805 -165.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 14.5 t -175.52 24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.13 175.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 82.0 21.5 61.04 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.551 171.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -73.58 140.43 46.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.813 0.339 . . . . 0.0 110.84 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -128.97 127.18 41.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.939 -176.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -132.56 151.84 78.91 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.648 0.737 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -51.31 150.92 13.95 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.703 2.269 . . . . 0.0 112.299 172.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 12.7 p -55.62 -35.68 39.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.133 -172.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 73.1 p -68.41 -38.21 81.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -71.1 -34.24 70.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.877 177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.37 -34.37 78.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 174.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 57.2 t -69.93 -40.42 78.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.189 170.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -72.58 -31.99 65.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -172.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' 4475 ' ' LYS . 88.8 tttt -158.97 54.22 0.41 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . -151.28 -133.69 2.07 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.465 178.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.616 HD13 ' N ' ' A' 4477 ' ' LEU . 0.0 OUTLIER -132.4 32.41 3.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.909 -173.191 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 66.1 t -118.7 143.5 29.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.08 176.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.61 154.52 19.52 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.91 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -57.97 -33.79 69.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.96 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 26.0 pt -70.49 -13.45 17.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -175.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 67.5 mtt -97.66 -7.67 30.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -175.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.402 ' O ' ' HB2' ' A' 4487 ' ' ASN . 67.6 t -62.1 -50.32 80.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -175.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.19 -44.07 80.57 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 -172.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -68.37 -35.54 77.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 91.4 mt -78.31 -28.02 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 176.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' A' 4483 ' ' VAL . 23.3 t-20 -63.64 -32.8 74.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -171.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 33.6 tp -63.13 -40.45 97.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -176.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . 0.462 ' HB2' ' CE1' ' A' 4524 ' ' PHE . . . -70.71 -35.22 72.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.141 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . 0.656 ' NE2' ' HA ' ' A' 4396 ' ' HIS . 29.8 tt0 -64.3 -38.1 89.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 177.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -64.95 -37.62 88.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.911 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -67.07 -35.78 80.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 -175.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 74.3 t80 -73.85 -41.18 62.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.967 179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 68.8 m -67.76 -32.61 73.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.886 -174.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 152.01 -31.28 0.89 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -177.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . . . . . . . . . 7.4 t80 63.18 33.21 14.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.793 0.33 . . . . 0.0 110.856 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -98.72 158.23 15.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -98.22 150.09 36.39 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.593 0.711 . . . . 0.0 110.881 166.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -66.78 -7.8 19.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.764 2.309 . . . . 0.0 112.338 -178.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 54.8 ptt85 -99.89 -21.83 15.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.883 -178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 6.8 t -149.5 130.11 14.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.173 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -119.46 87.92 2.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.895 -175.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 18.5 p -79.27 -13.35 59.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.158 -171.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 96.7 mttt 61.62 62.54 1.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -173.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 18.3 ptp -102.08 152.28 21.17 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -174.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 48.3 p -96.28 168.3 10.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 164.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -62.23 -39.08 91.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.054 172.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.518 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.3 -38.6 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 178.158 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -68.99 -31.89 71.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.892 175.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -61.43 -35.29 77.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.11 173.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.5 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.1 OUTLIER -70.37 -38.15 74.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.857 169.878 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 85.9 tttt -64.61 -26.84 68.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -114.03 -173.88 2.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -90.3 43.49 2.92 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.496 177.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 35.3 m0 -102.77 -34.43 9.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.724 0.297 . . . . 0.0 110.948 -172.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 26.7 tp -147.06 140.52 25.53 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.96 -179.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 48.7 p90 -89.61 160.13 16.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.898 -167.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 90.7 t80 -59.34 -44.85 92.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -164.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.04 -40.55 94.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -167.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.34 -51.01 9.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.078 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.54 -42.61 99.68 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.565 -173.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -62.78 -37.15 85.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.834 0.35 . . . . 0.0 110.919 178.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 44.6 ttm105 -64.66 -40.24 95.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' 4489 ' ' ALA . 14.7 m-30 -70.4 -37.27 74.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -176.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' 4562 ' ' LEU . 92.7 mt -73.71 -35.67 65.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -178.543 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . 0.404 ' O ' ' HG ' ' A' 4530 ' ' LEU . 41.8 tt0 -62.11 -43.51 98.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -173.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 67.5 t -64.94 -42.12 93.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.162 -178.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -67.63 -37.74 82.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.841 176.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -62.81 -38.6 91.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' 4526 ' ' GLU . 84.8 mt -63.49 -31.47 72.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.883 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.9 p -84.24 -32.81 24.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.201 -179.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -179.67 -74.98 0.06 OUTLIER Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.512 171.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -135.64 -168.73 11.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.603 -0.808 . . . . 0.0 112.489 -177.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . . . . . . . . . 48.3 mt -96.38 127.27 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.705 0.288 . . . . 0.0 110.922 -176.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 90.0 mt -79.19 129.55 37.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.162 -173.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -120.57 129.44 25.32 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.693 0.759 . . . . 0.0 110.865 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -68.74 -24.33 34.88 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 -174.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -70.16 -29.17 66.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.423 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 76.5 p -97.43 158.45 33.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 0.0 111.202 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.423 ' HD2' ' HB ' ' A' 4539 ' ' THR . 55.9 Cg_endo -66.47 -15.07 46.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.672 2.248 . . . . 0.0 112.329 176.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -150.43 -134.91 2.31 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.477 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 -119.86 149.81 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.789 0.328 . . . . 0.0 110.94 -174.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 92.6 t -109.17 126.8 28.48 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.604 0.716 . . . . 0.0 111.132 -179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.55 146.09 55.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.653 2.235 . . . . 0.0 112.331 174.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.427 HD11 ' HA ' ' A' 4559 ' ' ALA . 42.1 tp -58.48 -40.73 83.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -178.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -64.59 -38.7 91.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -71.7 -33.21 68.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 176.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.9 -35.64 78.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.164 176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.8 -47.55 74.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.932 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -72.51 -22.28 61.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 94.7 mtt-85 -77.94 -22.03 50.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 170.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 87.43 -7.31 81.32 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.499 178.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 12.9 t -64.6 -22.23 66.92 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.841 0.353 . . . . 0.0 111.07 -174.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.518 HG12 ' HB1' ' A' 4508 ' ' ALA . 34.1 m -121.58 153.35 25.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.135 168.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 20.2 t0 -90.37 170.26 10.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.823 173.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.76 -38.32 84.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.15 175.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.22 -37.59 88.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.903 177.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 87.8 m -69.33 -41.96 75.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 179.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.427 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.53 -42.05 87.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.076 -172.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 18.9 pt20 -66.96 -30.61 70.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.951 179.271 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 88.3 mttt -68.27 -35.65 78.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.849 175.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' 4525 ' ' LEU . 1.4 mm? -70.65 -33.01 70.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 173.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -74.14 -26.45 60.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.824 177.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 51.3 t0 -98.19 63.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 34.2 m -64.53 -25.64 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.141 178.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -67.27 -15.83 66.15 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.504 -173.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.0 89.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 111.163 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 65.0 t80 -78.97 128.84 33.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.965 -179.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 48.2 t -76.74 135.01 39.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 12.0 mptt -110.91 168.89 9.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.932 176.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -155.93 58.95 0.6 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.943 -178.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.429 ' O ' ' HA ' ' A' 4580 ' ' LYS . 92.7 mt -107.66 125.78 51.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.958 175.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 96.7 m -100.82 134.96 43.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.102 179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.617 ' H ' ' HD2' ' A' 4575 ' ' PRO . 9.0 t -161.35 -51.27 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.371 0 CA-C-O 121.715 0.769 . . . . 0.0 110.877 178.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.617 ' HD2' ' H ' ' A' 4574 ' ' CYS . 97.3 Cg_endo -70.85 139.41 36.4 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.624 2.216 . . . . 0.0 112.367 174.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 97.9 mttt -94.67 65.87 3.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 176.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 9.0 t -175.19 -37.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.179 -176.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 99.3 mttt -120.83 -14.77 8.47 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.893 176.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 7.7 mp 57.27 -89.69 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.881 -178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.429 ' HA ' ' O ' ' A' 4572 ' ' LEU . 13.9 mptt -80.96 122.34 27.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.871 -171.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.424 HD13 ' O ' ' A' 4572 ' ' LEU . 0.2 OUTLIER -132.7 174.29 13.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.064 175.552 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 59.7 p -65.5 169.24 6.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 178.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 36.5 m-85 -59.97 -37.87 80.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.859 172.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.6 tttt -66.54 -43.36 85.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 -175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -68.78 -38.34 79.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 176.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -64.57 -38.18 90.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 177.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 90.5 mt -69.1 -33.16 73.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 176.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -69.6 -28.66 66.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 173.281 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 96.0 mtt-85 -98.0 -4.13 36.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 -176.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 55.1 p -73.34 160.97 31.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.774 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 61.7 tpp -102.52 124.94 48.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.863 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' 4594 ' ' GLU . 87.3 t -88.49 127.1 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.167 174.694 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 47.5 tp10 -64.42 -30.63 71.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 -174.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . 0.44 ' H ' HG12 ' A' 4592 ' ' VAL . 94.8 mt-10 62.12 51.56 3.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.96 -178.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -154.82 -82.13 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 45.4 p -106.74 22.22 16.25 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.758 0.313 . . . . 0.0 111.11 178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 77.94 27.76 57.83 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.493 173.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -88.63 124.1 33.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.829 0.347 . . . . 0.0 110.894 -179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 83.5 mtt85 -88.64 130.97 35.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.865 171.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 83.6 mt -114.56 132.25 56.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 57.1 tp -87.37 119.46 27.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 176.515 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . 0.482 ' HG2' HD22 ' A' 4421 ' ' LEU . 28.9 mt-10 -80.1 131.37 35.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -175.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -152.25 164.48 37.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.108 174.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -126.25 141.38 51.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.062 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . -79.87 74.66 6.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.089 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.839 178.458 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 60.6 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.855 0.36 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 83.49 40.74 8.8 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.562 164.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 80.2 m80 -71.79 71.56 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.835 0.35 . . . . 0.0 110.813 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 95.3 m-70 -135.42 71.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -179.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 85.1 t60 -121.85 131.21 53.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 -176.217 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.9 t60 -56.07 127.99 33.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 178.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 95.1 m-70 -81.75 145.82 30.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -105.05 -158.12 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -176.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 95.6 p -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.783 -174.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 81.5 t60 -160.27 114.79 2.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 171.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 56.7 ttm -165.03 105.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.811 176.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 66.0 tt0 -164.29 135.04 4.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . . . . . . . . . 66.2 tp -144.47 111.37 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 174.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -152.81 75.01 1.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.139 177.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.8 p -140.05 165.71 26.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -174.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 9.0 t-105 -134.68 109.86 8.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 -179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 93.8 p -148.27 161.35 41.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.82 -178.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.468 ' N ' ' HD2' ' A' 4410 ' ' PRO . 95.7 m-20 -71.65 -47.91 12.2 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.651 0.738 . . . . 0.0 110.877 -174.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.468 ' HD2' ' N ' ' A' 4409 ' ' ASP . 95.9 Cg_endo -80.21 64.29 8.85 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.675 2.25 . . . . 0.0 112.335 -176.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 82.3 p -131.72 -9.15 3.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.168 170.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -164.17 151.16 11.66 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.822 -175.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -102.87 -95.68 0.3 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 51.5 p 39.62 -147.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 176.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . 120.86 124.16 3.09 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.444 169.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -73.87 -175.32 2.06 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.733 2.289 . . . . 0.0 112.323 173.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . . . . . . . . . 75.0 t -51.43 121.62 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.136 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -94.01 -33.15 13.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 -174.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -159.49 -171.93 25.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.52 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 37.2 mm -112.98 138.79 41.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.982 0.42 . . . . 0.0 111.067 -173.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . 0.41 ' HB2' ' HB3' ' A' 4600 ' ' LEU . 6.3 tt -117.46 125.86 51.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.925 175.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.48 ' O ' ' N ' ' A' 4426 ' ' LEU . 67.4 t0 -82.77 111.03 18.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.843 173.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 84.8 m -66.25 -25.92 67.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.105 -175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -71.17 -25.08 62.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.915 -177.137 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 68.1 p -128.56 -4.09 5.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.122 -176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' 4422 ' ' ASP . 2.2 mp 49.48 49.48 19.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -174.108 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -109.21 116.8 32.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 178.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 49.6 pttt -80.37 125.9 30.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.964 173.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 34.8 m -133.74 159.6 42.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.05 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 79.3 p -73.94 164.14 27.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.52 -39.91 82.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 175.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 87.9 m -65.19 -43.79 90.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.1 -38.9 89.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -65.22 -44.39 88.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.097 -178.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 73.4 mtm -67.19 -32.67 73.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.833 178.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' 4437 ' ' ARG . 84.3 t60 -63.51 -39.24 93.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -168.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.489 ' HB3' ' O ' ' A' 4436 ' ' HIS . 17.3 ptp180 169.31 57.48 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 176.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 40.9 t30 -104.6 -74.82 0.64 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.877 175.392 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 4.2 pp -164.42 -16.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -177.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 17.3 m -88.95 167.57 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.154 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 52.1 p30 -101.6 179.8 4.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 168.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -60.01 -36.97 78.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.835 174.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.0 -41.01 84.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 -169.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.8 m -64.53 -44.03 92.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 -178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.93 -38.9 96.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 173.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 25.0 tm0? -63.2 -38.06 89.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.5 mtp85 -66.11 -39.8 90.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.961 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 97.4 mt -68.69 -37.07 79.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 177.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.85 -35.17 80.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.926 178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -62.11 -40.23 95.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 172.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.25 -37.43 87.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.008 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.45 -39.34 77.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.915 175.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.083 177.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 63.8 m -66.73 -23.8 66.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.853 177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 41.0 p -96.5 30.31 2.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.097 173.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 101.51 -110.63 3.9 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 177.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -91.56 167.9 31.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.476 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 44.7 mm -72.74 133.89 30.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.742 0.306 . . . . 0.0 111.2 176.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 48.8 mm -98.22 117.66 43.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.122 -172.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.15 127.97 74.92 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-O 121.661 0.743 . . . . 0.0 110.815 177.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -71.15 -6.68 19.74 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.679 2.253 . . . . 0.0 112.314 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 49.1 m -51.25 -45.21 61.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.925 0.393 . . . . 0.0 110.849 175.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.1 t -174.94 25.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.17 -179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 84.28 25.17 44.79 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.556 172.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -70.61 144.58 51.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.865 0.364 . . . . 0.0 110.928 177.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -111.41 118.95 37.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -133.52 147.78 66.1 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.69 0.757 . . . . 0.0 110.928 176.422 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -53.61 156.19 12.03 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.693 2.262 . . . . 0.0 112.351 171.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 73.2 t -59.73 -43.12 90.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.109 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 85.7 m -67.38 -37.0 82.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -69.57 -33.46 72.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.848 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -59.13 -33.34 70.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 75.8 t -64.0 -38.74 83.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 173.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -68.16 -25.08 65.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.922 178.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -84.3 -16.99 41.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.992 177.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 87.18 29.0 23.8 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 -176.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 40.8 tp -102.19 -53.66 2.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 0.0 110.917 -175.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 79.7 t -105.29 142.01 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.195 -173.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -69.21 141.46 54.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 55.8 mtmt -58.44 -33.12 69.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 30.7 pt -73.82 -13.21 15.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 -174.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -99.97 -8.21 24.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -176.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.518 ' O ' ' HB2' ' A' 4487 ' ' ASN . 79.5 t -65.0 -51.35 67.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.148 -174.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.68 -36.96 85.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.888 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 58.1 ttm-85 -65.83 -41.86 91.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.427 HG22 ' O ' ' A' 4486 ' ' ILE . 97.1 mt -86.92 -15.58 9.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.126 -175.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' 4483 ' ' VAL . 24.3 t-20 -58.11 -32.59 68.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 -166.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 3.5 mp -63.82 -33.38 75.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.959 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -69.57 -43.77 72.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.092 -174.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -74.04 -33.2 63.65 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.893 175.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.421 ' HA ' ' HA3' ' A' 4495 ' ' GLY . 33.5 ttpt -64.89 -34.71 79.05 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.932 179.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . 0.594 ' HB1' ' HB2' ' A' 4507 ' ' ALA . . . -66.54 -36.47 82.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 175.21 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 91.0 t80 -69.69 -43.12 73.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 33.9 t -171.44 78.16 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . 0.421 ' HA3' ' HA ' ' A' 4491 ' ' LYS . . . -142.14 -60.02 0.03 OUTLIER Glycine 0 C--N 1.332 0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.484 -177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.407 ' O ' ' C ' ' A' 4497 ' ' GLU . 3.9 m-85 -56.41 -55.88 28.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 110.9 177.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . 0.407 ' C ' ' O ' ' A' 4496 ' ' PHE . 25.3 pt-20 39.3 -154.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 177.053 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 57.5 t0 -156.99 117.61 2.08 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-O 121.591 0.71 . . . . 0.0 110.916 172.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.415 ' O ' ' HB3' ' A' 4500 ' ' ARG . 61.0 Cg_endo -75.36 69.97 5.67 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 -175.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' 4499 ' ' PRO . 17.7 ptm180 175.03 -34.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.867 -178.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 15.0 t -135.06 -24.14 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.163 178.482 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 35.2 mmtp 60.77 94.6 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 -179.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 29.1 p -70.69 -28.75 65.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.133 -176.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 56.9 mttp 57.7 57.99 3.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.87 -172.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.481 ' SD ' ' CE3' ' A' 4515 ' ' TRP . 17.6 ptp -85.07 164.63 18.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.952 -170.024 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.0 p -108.62 173.0 6.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.834 173.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . 0.594 ' HB2' ' HB1' ' A' 4492 ' ' ALA . . . -62.25 -42.06 98.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.123 172.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -68.49 -43.0 77.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.071 -177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.4 -37.47 74.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.902 -179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . . . . . . . . . . . -60.98 -37.97 84.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.159 177.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.418 ' HG ' ' HA ' ' A' 4518 ' ' TYR . 0.8 OUTLIER -66.89 -36.94 83.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 174.261 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 60.3 tptt -67.16 -29.92 69.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 178.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -99.75 -12.58 19.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.793 -176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . 84.55 13.7 72.49 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.463 -178.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.481 ' CE3' ' SD ' ' A' 4505 ' ' MET . 27.1 m0 -70.12 -47.59 61.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.774 0.321 . . . . 0.0 110.88 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . . . . . . . . . 57.7 tp -101.03 157.04 17.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.926 -171.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 2.3 t80 -66.24 106.11 1.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.826 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . 0.418 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 60.0 t80 -54.89 -46.63 74.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.918 -164.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.3 -40.69 96.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.908 -170.384 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -80.23 -45.6 17.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.208 -179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -62.27 -40.62 99.24 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 24.1 tm0? -63.44 -34.94 78.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.735 0.302 . . . . 0.0 110.916 176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -65.48 -38.34 89.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.919 175.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -71.95 -31.14 66.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.823 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4534 ' ' LEU . 77.3 mt -65.44 -33.97 77.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.988 175.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.22 -37.85 88.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 75.0 t -65.76 -41.38 90.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 175.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -64.63 -37.4 87.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 177.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . 0.562 ' HB2' HD12 ' A' 4562 ' ' LEU . 85.1 t80 -62.35 -40.56 96.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 177.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.29 -30.5 71.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 65.7 p -82.69 -9.03 59.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 -178.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . 138.19 -21.48 3.13 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 169.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . 167.15 173.79 35.72 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.405 -174.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.685 HD22 HD22 ' A' 4525 ' ' LEU . 71.8 mt -80.63 148.29 30.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.764 0.316 . . . . 0.0 110.925 -171.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 17.4 mm -92.18 139.95 17.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.099 -171.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.403 ' HG2' ' H ' ' A' 4538 ' ' ASP . 34.9 tt0 -140.41 135.84 16.28 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.681 0.753 . . . . 0.0 110.867 167.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -63.57 -30.17 70.77 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.644 2.229 . . . . 0.0 112.353 -175.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.403 ' H ' ' HG2' ' A' 4536 ' ' GLU . 62.3 t0 -74.81 -64.94 0.94 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 174.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 88.1 m -53.6 124.46 41.79 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.612 0.72 . . . . 0.0 111.084 177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -71.28 -22.21 25.74 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.703 2.268 . . . . 0.0 112.283 -173.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . -119.35 -147.82 8.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.49 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 85.6 mtm-85 -116.61 141.81 47.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.793 0.33 . . . . 0.0 110.805 -178.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . 0.424 ' HA ' ' HD3' ' A' 4544 ' ' PRO . 98.1 t -103.29 127.17 30.27 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-O 121.589 0.709 . . . . 0.0 111.125 -178.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' 4543 ' ' VAL . 51.0 Cg_exo -55.41 147.56 56.51 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.695 2.263 . . . . 0.0 112.297 177.63 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 47.4 tp -57.34 -40.06 77.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.932 175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.44 -37.17 84.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.912 -179.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -72.47 -35.99 68.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.963 175.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -59.82 -35.19 74.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.094 178.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 29.2 mt -64.99 -47.44 77.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 20.3 pt20 -74.48 -21.65 59.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 178.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -75.74 -16.06 60.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.902 176.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 85.12 9.99 79.12 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.456 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . . . . . . . . . 5.3 p -80.81 -32.9 35.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.783 0.325 . . . . 0.0 111.168 -178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 28.7 m -130.03 158.74 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.117 -176.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 57.1 p30 -111.1 179.16 4.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 173.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -62.71 -41.52 99.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -177.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -64.16 -41.3 97.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -175.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 45.6 m -73.8 -39.39 64.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.141 175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.64 -40.21 92.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.054 -172.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -64.91 -31.95 73.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 94.5 mttt -66.15 -35.11 79.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 173.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' 4529 ' ' TYR . 3.9 mm? -68.57 -32.07 71.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.906 172.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -75.9 -23.75 55.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.853 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.49 -50.31 73.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.875 -177.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 28.8 m -66.87 -24.46 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -73.39 -22.25 78.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.797 -0.715 . . . . 0.0 112.478 174.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -86.3 -60.96 1.85 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.773 0.321 . . . . 0.0 111.116 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 77.3 t80 -88.31 126.99 35.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.98 -176.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 41.3 t -73.19 116.57 13.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 178.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . . . . . . . . . 85.2 tttt -173.48 125.11 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.944 178.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . 0.403 ' CD2' ' HG ' ' A' 4572 ' ' LEU . 68.3 t80 -175.83 -57.77 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 170.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' 4571 ' ' TYR . 36.9 mt -108.84 135.04 50.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.909 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 87.3 m -90.85 123.69 34.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.142 178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . . . . . . . . . 83.7 m -80.19 124.64 82.6 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 172.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' 4576 ' ' LYS . 74.3 Cg_exo -55.01 108.5 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.696 2.264 . . . . 0.0 112.351 -178.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.444 ' HB2' ' O ' ' A' 4575 ' ' PRO . 85.0 tttt 176.46 -85.09 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -178.631 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 62.7 p -134.99 55.82 1.88 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.158 177.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 98.6 mttt 57.24 53.85 7.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 174.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 76.3 mt -100.11 96.03 7.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -173.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.2 mttt -89.18 125.25 34.98 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . . . . . . . . . 47.9 pt -128.8 158.7 41.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 54.5 p -59.7 158.41 10.26 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.861 -179.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.453 ' O ' ' HG ' ' A' 4587 ' ' LEU . 0.9 OUTLIER -62.57 -36.8 83.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.944 175.754 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 87.7 tttt -63.38 -40.77 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 178.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -67.09 -40.66 86.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 174.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . . . . . . . . . . . -65.66 -37.63 87.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.088 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.453 ' HG ' ' O ' ' A' 4583 ' ' TYR . 78.0 mt -68.38 -35.12 77.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.926 179.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.55 -29.24 66.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 174.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 99.9 mtt180 -98.93 -5.2 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -175.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 54.4 p -71.42 163.34 27.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 58.4 tpp -106.89 130.4 54.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.867 178.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 95.8 t -77.2 125.38 36.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.149 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -54.41 -56.51 17.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -177.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -175.33 -44.78 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . 156.25 39.78 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -178.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 73.0 p -124.34 17.61 9.02 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 111.169 -177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 78.26 24.34 63.77 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 -177.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 93.1 mt -112.04 97.79 6.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.711 0.291 . . . . 0.0 110.92 -176.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -81.03 131.89 35.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 170.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . 0.41 ' HB3' ' HB2' ' A' 4421 ' ' LEU . 43.2 mt -111.46 132.65 54.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 58.2 tp -89.52 122.7 32.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.982 177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -76.94 132.99 39.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -145.22 155.69 43.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.093 177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -134.09 16.01 3.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.043 -176.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 53.99 35.71 22.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.142 177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . 0.664 ' HG2' ' OXT' ' A' 4606 ' ' GLN . 51.1 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . . . . . . . . . 99.6 mtp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . . . . . . . . . . . 107.46 121.5 4.69 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.479 -168.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . . . . . . . . . 25.3 p80 -163.5 -174.05 3.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.826 -169.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -79.38 157.87 27.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.865 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -112.46 -156.31 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -164.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -87.75 153.23 21.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.847 -159.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -131.04 -165.64 1.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -171.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -75.09 157.33 34.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.796 -168.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 27.5 t -131.21 -138.72 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -167.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 33.7 p80 -77.53 166.15 23.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.849 -172.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 26.5 ptt? -139.41 161.98 36.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.827 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -164.91 154.17 12.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -167.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.556 HD23 ' C ' ' A' 4404 ' ' LEU . 8.6 tt -129.1 129.82 45.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 178.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . . . . . . . . . . . -97.68 -59.96 1.67 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 -172.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 94.3 p -165.33 168.02 17.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.878 -176.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 45.5 p90 -85.67 -6.01 59.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 172.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . . . . . . . . . 9.5 t 64.91 -164.16 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 176.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.568 ' HB2' ' HD2' ' A' 4410 ' ' PRO . 56.3 p30 -127.04 172.22 6.97 Favored Pre-proline 0 C--N 1.327 -0.374 0 CA-C-O 121.601 0.715 . . . . 0.0 110.873 -176.527 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.568 ' HD2' ' HB2' ' A' 4409 ' ' ASP . 77.1 Cg_exo -55.88 130.47 40.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.394 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 11.8 t -168.23 145.55 4.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.241 -178.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' 4413 ' ' GLU . 40.9 tt0 -78.16 -69.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.818 -176.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . 0.416 ' C ' ' O ' ' A' 4412 ' ' GLU . 69.2 mm-40 39.59 69.27 0.31 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.862 172.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 79.6 p -67.26 151.74 46.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 -174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -130.15 -172.54 13.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.474 ' HD3' HG21 ' A' 4455 ' ' THR . 58.6 Cg_endo -75.14 99.02 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 -179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.416 ' HB ' HD22 ' A' 4448 ' ' LEU . 92.0 t 65.05 105.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.162 178.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -85.03 -27.46 26.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 177.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -156.91 -175.11 27.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.459 -176.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . 0.455 HG21 HD12 ' A' 4439 ' ' LEU . 46.7 mm -113.72 140.87 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.36 . . . . 0.0 111.136 -175.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 2.1 tt -124.35 129.86 51.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . 0.468 ' O ' ' N ' ' A' 4426 ' ' LEU . 68.0 t0 -79.03 112.54 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.826 171.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . . . . . . . . . 88.3 m -62.97 -24.75 68.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.092 -176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -63.22 -34.69 78.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.828 -173.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 61.4 p -136.38 -1.84 2.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.215 -177.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' 4422 ' ' ASP . 7.8 mp 58.59 74.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.979 -178.235 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -123.61 114.94 20.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.013 0.435 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' 4428 ' ' LYS . 43.8 pttt -76.7 122.75 25.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.281 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . 0.467 HG23 ' HB2' ' A' 4434 ' ' ALA . 35.9 m -134.2 159.98 41.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.128 176.487 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 76.7 p -72.04 165.79 23.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.8 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . . . . . . . . . 42.8 mm -61.28 -43.75 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.06 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 82.9 m -67.27 -40.43 86.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.07 174.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -65.86 -40.56 91.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 -173.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . 0.476 ' HB1' ' HB3' ' A' 4439 ' ' LEU . . . -64.9 -38.33 90.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 18.2 tmm? -68.76 -36.72 78.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.874 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . . . . . . . . . 86.2 t60 -68.9 -35.99 77.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -176.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -79.28 -77.21 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -176.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 171.34 25.21 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -176.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . 0.738 HD22 ' HB2' ' A' 4605 ' ' ALA . 0.4 OUTLIER -98.18 -46.04 5.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.902 -172.698 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 18.7 m -129.55 176.88 7.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 47.7 p30 -110.56 -179.38 3.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 173.199 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -58.32 -37.88 75.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.915 175.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.67 -42.95 83.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.143 -170.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 97.7 m -64.87 -44.01 91.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.133 178.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.27 -36.86 93.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.522 174.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -62.77 -46.1 89.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.783 0.325 . . . . 0.0 110.873 -174.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -67.15 -36.8 82.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.863 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . 0.416 HD22 ' HB ' ' A' 4417 ' ' VAL . 84.0 mt -65.8 -39.36 90.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.942 176.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . . . . . . . . . 95.6 mt -66.88 -38.71 86.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -63.6 -40.31 96.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 174.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . . . . . . . . . . . -65.13 -38.66 91.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.054 -178.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -68.77 -37.56 79.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 175.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -64.85 -35.92 82.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.009 177.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 68.1 m -64.61 -32.98 74.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.994 0.426 . . . . 0.0 110.922 178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . 0.474 HG21 ' HD3' ' A' 4416 ' ' PRO . 80.7 p -83.85 -21.09 32.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.178 179.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 168.7 -115.02 0.58 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.502 177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -94.74 179.24 36.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.559 170.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . . . . . . . . . 47.5 mm -72.03 126.68 32.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.757 0.313 . . . . 0.0 111.232 173.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . 0.443 HG12 ' HG2' ' A' 4466 ' ' ARG . 97.0 mt -95.32 119.12 42.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 -169.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' 4461 ' ' PRO . 68.5 t0 -85.96 121.14 73.01 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.702 . . . . 0.0 110.887 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . 0.414 ' O ' ' HB3' ' A' 4462 ' ' SER . 33.6 Cg_endo -57.51 109.85 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.354 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' 4461 ' ' PRO . 92.7 p 175.13 -47.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.9 -171.528 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.6 t -174.99 24.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.145 176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 86.0 23.04 46.87 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.551 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -68.38 138.99 55.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.919 -178.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' 4459 ' ' ILE . 82.7 mtt180 -115.05 129.82 56.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.844 -178.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -135.46 151.18 74.23 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.636 0.731 . . . . 0.0 110.91 176.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.45 150.62 26.37 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.641 2.227 . . . . 0.0 112.377 176.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 72.3 t -56.54 -44.49 80.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.124 178.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 95.9 m -67.04 -37.78 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.223 179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . 0.447 ' HB2' HD11 ' A' 4404 ' ' LEU . 38.7 t70 -69.68 -38.3 76.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -178.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' 4477 ' ' LEU . . . -62.0 -33.6 74.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 -178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . 0.451 HG21 HG22 ' A' 4483 ' ' VAL . 69.5 t -63.82 -36.63 77.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.104 177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -66.15 -24.96 66.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 178.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 68.0 mttm -86.02 -23.17 26.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.815 178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 100.58 16.98 25.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.488 -177.345 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . 0.421 ' HB3' ' HB1' ' A' 4472 ' ' ALA . 2.9 tt -88.64 -49.31 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.895 0.379 . . . . 0.0 110.864 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 91.1 t -103.85 145.73 12.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.157 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -75.2 144.45 42.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.821 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -58.29 -35.26 71.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 24.9 pt -71.94 -11.94 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.239 -175.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 68.0 mtt -102.11 -1.27 31.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . 0.451 HG22 HG21 ' A' 4473 ' ' VAL . 77.0 t -61.4 -56.67 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.126 -173.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -66.04 -36.33 82.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -178.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 61.4 ttm-85 -63.74 -42.0 97.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . . . . . . . . . 88.6 mt -88.46 -27.16 5.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.055 -175.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -61.83 -31.88 72.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.967 -172.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . 0.482 HD12 ' HE3' ' A' 4491 ' ' LYS . 34.2 tp -63.88 -34.52 78.14 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.903 178.13 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -68.72 -36.79 78.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 174.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -65.64 -39.77 91.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.932 174.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' 4496 ' ' PHE . 58.2 mtmt -68.58 -35.18 77.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 174.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -65.45 -25.68 67.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.105 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.5 t80 -67.08 -53.03 34.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 49.3 t -168.84 100.85 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 177.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 153.52 -159.53 28.69 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.502 172.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' 4496 ' ' PHE . 0.9 OUTLIER 72.38 38.6 0.81 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.867 0.365 . . . . 0.0 110.916 179.604 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -82.94 119.69 24.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 175.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . 0.561 ' HB2' ' HD2' ' A' 4499 ' ' PRO . 58.2 p30 -94.77 163.94 20.98 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.701 0.762 . . . . 0.0 110.937 176.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . 0.561 ' HD2' ' HB2' ' A' 4498 ' ' ASP . 90.2 Cg_endo -76.43 59.32 6.08 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.767 2.311 . . . . 0.0 112.315 176.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -135.57 -41.13 0.7 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.881 -178.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . . . . . . . . . 23.4 p -124.04 -27.11 3.93 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 -177.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 30.3 mmmt 52.54 58.44 5.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 175.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . . . . . . . . . 14.5 t -155.96 164.53 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 173.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . . . . . . . . . 47.8 mmtm -99.93 65.0 1.27 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.821 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . 0.43 ' HE2' ' CE3' ' A' 4515 ' ' TRP . 0.0 OUTLIER -62.58 154.16 29.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.863 175.087 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 27.3 t -69.93 156.8 38.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.877 179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.8 -40.88 94.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 175.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . 0.568 ' HB1' HG12 ' A' 4554 ' ' VAL . . . -66.69 -37.59 85.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.019 175.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -67.61 -33.92 75.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.891 173.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.451 ' HB1' ' H ' ' A' 4515 ' ' TRP . . . -60.19 -32.44 71.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.419 ' HA ' HD12 ' A' 4511 ' ' LEU . 0.3 OUTLIER -62.23 -37.74 86.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.987 178.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . 0.545 ' O ' ' CB ' ' A' 4513 ' ' LYS . 85.4 tttt -69.87 -32.03 70.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 172.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.545 ' CB ' ' O ' ' A' 4512 ' ' LYS . 33.9 tttp 157.33 100.6 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.799 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . . . . . . . . . . . -161.3 -88.72 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.57 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . 0.481 ' C ' ' CD1' ' A' 4515 ' ' TRP . 0.3 OUTLIER -155.01 16.29 0.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.99 -169.207 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.407 HD21 ' HA2' ' A' 4521 ' ' GLY . 41.8 tp -153.95 143.93 21.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 -179.067 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 33.7 p90 -102.22 159.65 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.963 -170.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . 0.412 ' HA ' ' HG ' ' A' 4511 ' ' LEU . 91.5 t80 -58.62 -44.05 89.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.947 -167.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.85 -41.39 95.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.837 -166.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -87.33 -45.53 10.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.208 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . 0.407 ' HA2' HD21 ' A' 4516 ' ' LEU . . . -62.91 -42.77 99.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.455 -173.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 71.8 tp60 -61.94 -40.55 95.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.715 0.293 . . . . 0.0 110.864 179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -64.75 -38.95 92.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 23.4 m-30 -70.31 -34.01 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.972 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4534 ' ' LEU . 96.3 mt -68.76 -31.79 71.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 178.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -60.93 -41.92 97.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . . . . . . . . . 78.0 t -68.19 -41.99 84.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.172 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.01 -39.2 93.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.934 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 93.2 t80 -64.49 -40.67 96.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.912 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.9 mt -64.34 -29.75 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 75.1 p -83.26 -38.76 21.77 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 176.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -169.51 -85.14 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.534 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -133.06 -157.02 8.29 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.503 176.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.503 HD22 HD22 ' A' 4525 ' ' LEU . 49.0 mt -98.0 125.53 42.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.819 0.342 . . . . 0.0 110.965 179.297 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.7 mt -85.96 131.12 35.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.154 -174.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' A' 4537 ' ' PRO . 13.6 pt-20 -157.1 159.41 31.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.72 0.771 . . . . 0.0 110.913 -178.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . 0.456 ' HD2' ' HB2' ' A' 4536 ' ' GLU . 66.7 Cg_endo -74.32 169.64 22.02 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.712 2.275 . . . . 0.0 112.354 177.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' 4537 ' ' PRO . 68.9 m-20 67.79 17.81 9.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.939 -178.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . 0.572 ' HB ' ' HD2' ' A' 4540 ' ' PRO . 35.3 p -135.07 163.79 48.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.649 0.737 . . . . 0.0 111.093 176.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . 0.572 ' HD2' ' HB ' ' A' 4539 ' ' THR . 29.5 Cg_endo -55.69 -16.08 14.19 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.575 2.184 . . . . 0.0 112.389 170.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 158.92 -75.03 0.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.426 177.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 33.5 ptt-85 -128.28 140.39 51.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.947 0.403 . . . . 0.0 110.862 -176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 95.8 t -104.47 128.2 27.46 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-O 121.657 0.741 . . . . 0.0 111.096 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.01 144.23 46.64 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.674 2.249 . . . . 0.0 112.289 171.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . . . . . . . . . 42.8 tp -58.01 -44.18 87.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.982 -174.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -64.1 -38.93 92.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.861 177.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . 0.426 ' O ' ' HG2' ' A' 4550 ' ' GLN . 35.7 tt0 -70.94 -33.12 70.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.935 175.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -61.17 -35.48 77.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.066 176.174 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 41.4 mt -67.04 -47.56 70.99 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.981 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' 4547 ' ' GLU . 20.3 pt20 -71.77 -24.51 61.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.907 -177.177 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -77.77 -20.0 54.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 174.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 84.24 -8.11 68.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.472 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.475 HG23 HG13 ' A' 4554 ' ' VAL . 15.1 t -60.07 -24.33 64.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.745 0.307 . . . . 0.0 111.084 -176.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . 0.568 HG12 ' HB1' ' A' 4508 ' ' ALA . 33.9 m -126.3 152.36 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.086 170.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 21.8 t0 -90.4 169.66 10.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 171.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -61.61 -39.86 92.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.058 177.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -63.4 -41.57 98.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 -177.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 92.6 m -72.6 -39.66 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.132 178.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.78 92.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.153 -171.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 21.0 pt20 -64.4 -26.55 68.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.915 -179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -64.25 -31.93 73.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 176.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.1 mm? -73.1 -30.11 63.41 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.006 175.578 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -75.03 -23.5 58.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.913 178.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -81.48 1.58 32.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -172.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . 0.448 ' HA ' ' CD2' ' A' 4568 ' ' TYR . 27.6 m -60.25 -23.08 26.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.113 179.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . . . . . . . . . . . -69.9 -17.43 73.43 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.487 176.444 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -112.63 -6.08 13.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.767 0.318 . . . . 0.0 111.111 179.336 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . 0.448 ' CD2' ' HA ' ' A' 4565 ' ' VAL . 16.3 m-30 -74.44 152.64 39.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 177.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 83.1 p -60.75 158.01 13.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -174.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.427 ' HD3' ' HG2' ' A' 4580 ' ' LYS . 64.5 pttt -48.21 155.92 0.44 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.882 -178.541 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -118.02 -41.67 2.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.858 175.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . . . . . . . . . 96.3 mt -121.92 133.48 54.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.877 179.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 92.9 m -104.05 127.59 51.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.126 177.146 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.437 ' SG ' HD11 ' A' 4581 ' ' ILE . 74.4 m -122.24 88.67 48.7 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.615 0.721 . . . . 0.0 110.884 176.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -61.81 90.35 0.11 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.632 2.221 . . . . 0.0 112.273 -176.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . . . . . . . . . 56.1 tptt -174.92 -44.91 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 177.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . . . . . . . . . 85.5 m -149.39 -74.04 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.168 178.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -94.84 72.34 3.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 -177.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.27 -62.5 1.83 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . 0.427 ' HG2' ' HD3' ' A' 4570 ' ' LYS . 99.6 mttt -79.06 86.17 4.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 -170.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.441 ' HB ' ' HB2' ' A' 4585 ' ' ASP . 46.1 pt -133.39 158.13 42.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -175.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 80.2 p -89.42 178.61 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 175.098 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . 0.471 ' O ' ' HG ' ' A' 4587 ' ' LEU . 29.0 m-85 -62.06 -40.73 96.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . . . . . . . . . 88.3 tttt -64.5 -40.51 95.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.895 -179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . 0.441 ' HB2' ' HB ' ' A' 4581 ' ' ILE . 72.6 m-20 -68.57 -40.56 80.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 175.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' 4590 ' ' SER . . . -65.35 -34.29 77.98 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.131 -178.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' 4583 ' ' TYR . 91.0 mt -65.1 -36.31 83.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 178.21 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -69.94 -29.7 66.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 173.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -102.54 -1.73 29.88 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.798 -174.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . 0.5 ' N ' ' O ' ' A' 4586 ' ' ALA . 90.1 p -65.45 153.4 41.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 178.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 62.0 tpp -106.79 125.63 51.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.851 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 93.9 t -104.23 124.62 58.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -99.62 -50.04 4.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 -114.02 169.77 8.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -178.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -93.45 22.26 36.23 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 79.9 p -80.75 -15.04 57.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.926 0.393 . . . . 0.0 111.155 -178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 98.3 29.12 7.68 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.529 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 85.2 mt -109.64 103.7 12.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.81 0.338 . . . . 0.0 110.876 -176.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 94.3 mtt-85 -77.57 132.51 38.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 175.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 52.8 mt -110.37 133.42 53.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.963 178.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . . . . . . . . . 53.8 tp -90.88 127.25 36.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.894 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -79.09 129.47 34.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -172.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . 0.633 ' HB3' HD11 ' A' 4439 ' ' LEU . . . -149.84 161.48 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.077 172.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . . . . . . . . . . . -115.15 30.27 7.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . 0.738 ' HB2' HD22 ' A' 4439 ' ' LEU . . . 54.94 43.37 30.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.133 178.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.333 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A 4392 ' ' MET . . . . . 0.507 ' SD ' ' HB3' ' A' 4572 ' ' LEU . 4.4 ptp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4393 ' ' GLY . . . . . 0.532 ' HA3' ' H ' ' A' 4577 ' ' THR . . . -169.27 -154.95 9.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.461 178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4394 ' ' HIS . . . . . 0.493 ' H ' ' HA ' ' A' 4576 ' ' LYS . 83.3 t60 -168.42 140.09 2.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.789 0.328 . . . . 0.0 110.8 176.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4395 ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' 4395 ' ' HIS . 31.9 t-80 -160.26 57.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.793 173.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4396 ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -140.02 -173.97 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.805 -178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4397 ' ' HIS . . . . . . . . . . . . . 85.7 t60 -148.31 134.25 19.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 177.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4398 ' ' HIS . . . . . . . . . . . . . 57.3 p-80 -143.58 177.74 8.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -176.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4399 ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -132.92 69.3 1.48 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.819 -177.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4400 ' ' SER . . . . . . . . . . . . . 23.3 t -145.07 81.03 1.63 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 175.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4401 ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -127.58 173.32 9.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.961 -170.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4402 ' ' MET . . . . . . . . . . . . . 87.2 mmm 66.6 29.0 9.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.9 175.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4403 ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -159.99 114.99 2.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.962 170.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4404 ' ' LEU . . . . . 0.462 ' O ' ' HB2' ' A' 4405 ' ' ALA . 48.7 tp -166.92 135.03 2.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.945 178.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4405 ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' 4404 ' ' LEU . . . 176.82 -10.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.109 177.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4406 ' ' SER . . . . . . . . . . . . . 95.5 p -169.99 162.84 9.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4407 ' ' TRP . . . . . . . . . . . . . 98.0 m95 -135.02 73.77 1.49 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.978 171.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4408 ' ' SER . . . . . 0.474 ' O ' ' CB ' ' A' 4409 ' ' ASP . 28.0 t -81.63 79.74 8.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -169.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4409 ' ' ASP . . . . . 0.57 ' C ' ' OD1' ' A' 4409 ' ' ASP . 1.5 t0 165.04 -58.15 0.0 OUTLIER Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.555 0.693 . . . . 0.0 110.879 172.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4410 ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' A' 4409 ' ' ASP . 48.8 Cg_endo -77.47 170.25 19.67 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 174.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4411 ' ' THR . . . . . . . . . . . . . 26.4 m 74.98 104.98 0.07 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.092 171.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4412 ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -125.85 -35.28 2.51 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4413 ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -74.51 133.44 42.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.944 176.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4414 ' ' THR . . . . . . . . . . . . . 71.8 p -97.26 159.83 14.69 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.224 -174.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4415 ' ' GLY . . . . . . . . . . . . . . . -118.54 167.01 12.95 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.488 -163.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4416 ' ' PRO . . . . . 0.556 ' O ' ' HB ' ' A' 4417 ' ' VAL . 85.8 Cg_endo -80.14 -166.99 0.45 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.734 2.289 . . . . 0.0 112.311 176.075 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4417 ' ' VAL . . . . . 0.556 ' HB ' ' O ' ' A' 4416 ' ' PRO . 90.8 t 83.18 135.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.171 169.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4418 ' ' ALA . . . . . . . . . . . . . . . -96.86 -37.02 10.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.092 -176.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4419 ' ' GLY . . . . . . . . . . . . . . . -141.48 -179.77 18.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.533 -171.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4420 ' ' ILE . . . . . . . . . . . . . 33.9 mm -113.98 141.43 30.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.83 0.348 . . . . 0.0 111.145 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4421 ' ' LEU . . . . . . . . . . . . . 3.0 tt -122.83 123.6 41.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 173.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4422 ' ' ASP . . . . . . . . . . . . . 66.4 t0 -83.5 117.91 23.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 178.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4423 ' ' THR . . . . . 0.415 ' OG1' ' HB2' ' A' 4604 ' ' ALA . 76.8 p -80.58 -7.45 59.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.078 -175.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4424 ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -62.0 -34.47 76.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.896 174.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4425 ' ' THR . . . . . . . . . . . . . 16.5 p -140.69 7.54 2.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.117 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4426 ' ' LEU . . . . . 0.457 ' HA ' HD12 ' A' 4426 ' ' LEU . 0.4 OUTLIER 55.09 59.48 3.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.97 -176.255 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 4427 ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -121.11 124.62 45.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4428 ' ' LYS . . . . . . . . . . . . . 42.7 pttt -77.01 130.02 36.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.855 175.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4429 ' ' VAL . . . . . . . . . . . . . 30.0 m -131.64 162.15 39.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.149 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4430 ' ' SER . . . . . . . . . . . . . 66.9 p -74.93 162.28 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4431 ' ' ILE . . . . . 0.442 HG21 ' HG ' ' A' 4449 ' ' LEU . 43.7 mm -61.36 -39.26 82.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.195 175.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4432 ' ' THR . . . . . . . . . . . . . 89.6 m -65.65 -42.13 91.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 177.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4433 ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -66.2 -41.48 90.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.935 178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4434 ' ' ALA . . . . . . . . . . . . . . . -67.06 -40.16 87.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.071 176.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4435 ' ' MET . . . . . . . . . . . . . 64.6 ttp -65.3 -32.37 73.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.815 -177.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4436 ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' 4437 ' ' ARG . 86.3 t60 -60.25 -40.0 88.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.941 -164.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4437 ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' 4436 ' ' HIS . 41.0 ptt180 178.89 26.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 177.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4438 ' ' ASN . . . . . . . . . . . . . 58.9 t30 -84.49 -59.49 2.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.804 -174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4439 ' ' LEU . . . . . . . . . . . . . 1.4 pp -174.76 -32.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.916 178.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4440 ' ' VAL . . . . . . . . . . . . . 3.0 m -82.03 147.76 5.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 -178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4441 ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -99.85 -175.1 2.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 176.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4442 ' ' ASN . . . . . . . . . . . . . 45.7 t30 -60.56 -42.23 96.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4443 ' ' ILE . . . . . . . . . . . . . 34.4 mm -68.38 -44.95 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.088 -176.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4444 ' ' THR . . . . . . . . . . . . . 98.4 m -64.54 -41.31 96.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4445 ' ' GLY . . . . . . . . . . . . . . . -63.12 -38.77 97.08 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 172.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4446 ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -63.72 -38.81 92.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.801 0.334 . . . . 0.0 110.911 -178.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4447 ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -65.5 -43.58 89.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.926 -178.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4448 ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.12 -35.33 76.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.962 175.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4449 ' ' LEU . . . . . 0.442 ' HG ' HG21 ' A' 4431 ' ' ILE . 48.9 mt -65.57 -32.17 73.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4450 ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.72 -36.85 82.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 174.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4451 ' ' ALA . . . . . 0.44 ' HA ' HG11 ' A' 4527 ' ' VAL . . . -65.11 -37.11 86.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.099 176.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4452 ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -67.22 -38.21 84.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 173.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4453 ' ' ALA . . . . . . . . . . . . . . . -65.03 -38.38 90.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4454 ' ' CYS . . . . . . . . . . . . . 74.6 m -70.41 -19.09 63.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 179.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4455 ' ' THR . . . . . . . . . . . . . 53.6 p -102.75 31.73 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.095 172.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4456 ' ' GLY . . . . . . . . . . . . . . . 89.47 -119.71 5.56 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.516 173.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4457 ' ' GLY . . . . . . . . . . . . . . . -76.43 171.31 54.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.529 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4458 ' ' ILE . . . . . 0.43 HD11 HD13 ' A' 4486 ' ' ILE . 46.4 mm -77.63 131.82 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.35 . . . . 0.0 111.149 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4459 ' ' ILE . . . . . . . . . . . . . 87.9 mt -114.2 122.08 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.07 -167.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4460 ' ' ASP . . . . . . . . . . . . . 67.7 t0 -85.16 116.48 65.65 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-O 121.719 0.771 . . . . 0.0 110.815 175.03 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4461 ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -60.72 -16.34 43.1 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -176.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4462 ' ' SER . . . . . . . . . . . . . 71.2 m -49.55 -36.77 24.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -178.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4463 ' ' THR . . . . . . . . . . . . . 13.4 t -172.28 25.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.092 177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4464 ' ' GLY . . . . . . . . . . . . . . . 77.06 31.49 52.65 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.577 173.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4465 ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -71.08 136.89 48.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 177.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4466 ' ' ARG . . . . . . . . . . . . . 61.3 ttm-85 -113.01 122.32 47.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.809 -172.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4467 ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -135.89 140.41 33.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.648 0.737 . . . . 0.0 110.857 175.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4468 ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -51.36 142.79 36.52 Favored 'Trans proline' 0 C--N 1.342 0.224 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 171.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4469 ' ' VAL . . . . . . . . . . . . . 11.9 p -53.47 -36.24 27.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.087 -175.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4470 ' ' THR . . . . . . . . . . . . . 47.6 p -66.3 -37.22 84.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4471 ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -72.86 -39.99 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.959 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4472 ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.63 91.6 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.095 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4473 ' ' VAL . . . . . . . . . . . . . 58.4 t -66.5 -38.18 81.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.167 174.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4474 ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -69.21 -24.95 64.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4475 ' ' LYS . . . . . . . . . . . . . 72.3 mmtt -84.27 -30.42 25.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 177.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4476 ' ' GLY . . . . . . . . . . . . . . . 111.38 22.46 6.12 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.492 177.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4477 ' ' LEU . . . . . . . . . . . . . 2.7 tt -89.9 -46.94 8.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4478 ' ' VAL . . . . . . . . . . . . . 60.6 t -116.42 149.31 18.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -174.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4479 ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -71.59 147.78 47.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 177.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4480 ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -59.66 -33.35 71.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 178.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4481 ' ' ILE . . . . . . . . . . . . . 28.7 pt -71.35 -11.36 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.169 -172.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4482 ' ' MET . . . . . . . . . . . . . 66.7 mtt -94.81 -8.76 36.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4483 ' ' VAL . . . . . . . . . . . . . 61.2 t -62.58 -48.64 87.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.08 -173.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4484 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -65.88 -40.1 91.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4485 ' ' ARG . . . . . . . . . . . . . 47.8 ttm-85 -65.56 -40.96 93.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 175.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4486 ' ' ILE . . . . . 0.43 HD13 HD11 ' A' 4458 ' ' ILE . 79.5 mt -78.94 -29.28 14.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4487 ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -65.31 -37.8 88.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -174.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4488 ' ' LEU . . . . . . . . . . . . . 39.0 tp -65.63 -39.96 92.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 177.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4489 ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.34 68.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.996 176.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4490 ' ' GLN . . . . . . . . . . . . . 25.6 tt0 -65.52 -45.99 81.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.929 -169.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4491 ' ' LYS . . . . . . . . . . . . . 49.0 pttt -71.12 -27.75 63.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.947 176.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4492 ' ' ALA . . . . . . . . . . . . . . . -61.28 -24.57 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.134 -178.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4493 ' ' PHE . . . . . . . . . . . . . 89.9 t80 -63.24 -38.5 91.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4494 ' ' CYS . . . . . . . . . . . . . 13.4 p -128.91 33.62 4.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -169.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4495 ' ' GLY . . . . . . . . . . . . . . . 94.82 139.34 9.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4496 ' ' PHE . . . . . 0.517 ' CZ ' HD22 ' A' 4516 ' ' LEU . 93.2 m-85 -82.63 -49.77 9.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.857 0.361 . . . . 0.0 110.944 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4497 ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 45.35 70.67 0.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.817 173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4498 ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -55.47 150.48 24.11 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.611 0.72 . . . . 0.0 110.867 173.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4499 ' ' PRO . . . . . . . . . . . . . 34.5 Cg_endo -66.39 -14.14 42.9 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.426 -176.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4500 ' ' ARG . . . . . . . . . . . . . 4.3 ppt_? -106.67 11.74 30.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.844 179.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4501 ' ' THR . . . . . 0.71 ' O ' HG23 ' A' 4501 ' ' THR . 10.1 t 179.92 84.93 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.207 178.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4502 ' ' LYS . . . . . . . . . . . . . 8.8 mmmm -84.56 98.49 10.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.934 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4503 ' ' THR . . . . . 0.499 ' O ' ' CB ' ' A' 4504 ' ' LYS . 43.0 p -119.99 -42.85 2.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.193 -174.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4504 ' ' LYS . . . . . 0.499 ' CB ' ' O ' ' A' 4503 ' ' THR . 33.9 ttpt 84.97 114.04 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.956 177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4505 ' ' MET . . . . . . . . . . . . . 76.6 mtm -148.05 158.44 44.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -173.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4506 ' ' SER . . . . . . . . . . . . . 51.7 p -73.15 170.07 15.71 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 168.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4507 ' ' ALA . . . . . . . . . . . . . . . -60.38 -40.88 92.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.04 173.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4508 ' ' ALA . . . . . . . . . . . . . . . -69.31 -38.59 78.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.1 179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4509 ' ' GLN . . . . . 0.442 ' HG3' ' OG1' ' A' 4553 ' ' THR . 76.4 mt-30 -68.87 -36.69 78.41 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.958 178.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4510 ' ' ALA . . . . . 0.491 ' HA ' ' HA3' ' A' 4514 ' ' GLY . . . -63.46 -34.01 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.047 172.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4511 ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' 4511 ' ' LEU . 0.0 OUTLIER -67.47 -41.79 84.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 172.126 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 4512 ' ' LYS . . . . . . . . . . . . . 82.8 tttt -68.76 -35.94 77.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -168.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4513 ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' 4513 ' ' LYS . 88.4 tttt -177.23 37.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 -176.004 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4514 ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' 4510 ' ' ALA . . . -104.75 -79.9 1.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.547 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4515 ' ' TRP . . . . . . . . . . . . . 3.3 p90 175.02 -24.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.882 -175.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4516 ' ' LEU . . . . . 0.517 HD22 ' CZ ' ' A' 4496 ' ' PHE . 15.9 tp -61.88 139.31 58.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4517 ' ' TYR . . . . . . . . . . . . . 27.9 p90 -91.78 161.99 14.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -172.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4518 ' ' TYR . . . . . . . . . . . . . 87.8 t80 -58.05 -44.3 87.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.92 -167.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4519 ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.67 -37.93 85.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.897 -170.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4520 ' ' ALA . . . . . . . . . . . . . . . -79.19 -50.76 10.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 -179.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4521 ' ' GLY . . . . . . . . . . . . . . . -63.85 -40.56 98.5 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 -175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4522 ' ' GLN . . . . . . . . . . . . . 65.2 tp60 -62.47 -39.23 92.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.81 0.338 . . . . 0.0 110.881 -178.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4523 ' ' ARG . . . . . . . . . . . . . 95.8 mtt-85 -66.26 -39.16 89.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 178.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4524 ' ' PHE . . . . . . . . . . . . . 17.9 m-30 -70.33 -38.7 74.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -175.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4525 ' ' LEU . . . . . 0.431 HD22 HD13 ' A' 4534 ' ' LEU . 94.6 mt -72.61 -38.1 67.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.948 -174.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4526 ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -64.97 -43.84 91.29 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 -174.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4527 ' ' VAL . . . . . 0.44 HG11 ' HA ' ' A' 4451 ' ' ALA . 72.8 t -70.37 -39.95 77.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.117 -177.017 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4528 ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -63.45 -38.74 92.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.931 175.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4529 ' ' TYR . . . . . . . . . . . . . 92.6 t80 -63.6 -40.73 97.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 178.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4530 ' ' LEU . . . . . . . . . . . . . 82.3 mt -66.82 -35.38 79.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.929 -175.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4531 ' ' THR . . . . . . . . . . . . . 59.8 p -82.94 -33.24 26.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4532 ' ' GLY . . . . . . . . . . . . . . . -168.08 -85.03 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.562 173.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4533 ' ' GLY . . . . . . . . . . . . . . . -141.98 -171.83 13.2 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.461 171.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4534 ' ' LEU . . . . . 0.431 HD13 HD22 ' A' 4525 ' ' LEU . 58.1 mt -77.9 136.71 38.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.761 0.315 . . . . 0.0 110.919 -177.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4535 ' ' ILE . . . . . . . . . . . . . 96.1 mt -93.96 131.35 41.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 -174.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4536 ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -129.12 156.54 78.06 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.613 0.721 . . . . 0.0 110.939 174.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4537 ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -73.24 -21.5 20.08 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.609 2.206 . . . . 0.0 112.261 -178.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4538 ' ' ASP . . . . . . . . . . . . . 49.7 t0 -75.0 -69.96 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.9 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4539 ' ' THR . . . . . . . . . . . . . 98.4 m -65.24 126.54 91.58 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.507 0.67 . . . . 0.0 111.174 175.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4540 ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -74.99 70.65 5.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 0.0 112.402 178.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4541 ' ' GLY . . . . . . . . . . . . . . . 150.55 -157.47 27.22 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.516 -178.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4542 ' ' ARG . . . . . . . . . . . . . 78.1 mtm180 -96.69 140.08 31.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.838 0.351 . . . . 0.0 110.876 -178.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4543 ' ' VAL . . . . . . . . . . . . . 89.5 t -110.42 125.37 31.06 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.592 0.711 . . . . 0.0 111.156 -177.387 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4544 ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 148.78 45.41 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.685 2.256 . . . . 0.0 112.365 176.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4545 ' ' LEU . . . . . 0.414 HD11 ' HA ' ' A' 4559 ' ' ALA . 43.5 tp -59.61 -41.17 89.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.89 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4546 ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.71 -38.28 90.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.934 176.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4547 ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -70.03 -34.11 72.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.918 175.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4548 ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.64 88.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 178.189 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4549 ' ' LEU . . . . . . . . . . . . . 34.0 mt -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -178.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4550 ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -72.79 -23.7 60.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4551 ' ' ARG . . . . . . . . . . . . . 49.2 mtp85 -77.78 -28.18 50.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.965 174.019 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4552 ' ' GLY . . . . . . . . . . . . . . . 94.52 -7.0 71.35 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.508 175.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4553 ' ' THR . . . . . 0.442 ' OG1' ' HG3' ' A' 4509 ' ' GLN . 5.8 t -58.9 -29.53 67.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.846 0.355 . . . . 0.0 111.184 -178.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4554 ' ' VAL . . . . . . . . . . . . . 34.8 m -118.99 151.7 21.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.154 173.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4555 ' ' ASP . . . . . . . . . . . . . 19.1 t0 -89.98 170.1 10.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 167.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4556 ' ' ALA . . . . . . . . . . . . . . . -60.61 -39.4 88.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.211 176.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4557 ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -64.36 -38.94 92.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4558 ' ' THR . . . . . . . . . . . . . 88.3 m -70.17 -39.37 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.115 178.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4559 ' ' ALA . . . . . 0.414 ' HA ' HD11 ' A' 4545 ' ' LEU . . . -66.72 -41.78 87.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.078 -173.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4560 ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -67.53 -28.72 68.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.883 -179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4561 ' ' LYS . . . . . . . . . . . . . 60.8 mttm -66.21 -34.23 77.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.872 175.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4562 ' ' LEU . . . . . 0.445 HD13 ' HA ' ' A' 4562 ' ' LEU . 2.2 mm? -67.34 -27.97 67.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 173.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4563 ' ' ARG . . . . . . . . . . . . . 84.6 mtp180 -77.96 -15.44 58.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4564 ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -78.75 -6.01 54.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.92 -173.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4565 ' ' VAL . . . . . . . . . . . . . 36.0 m -61.13 -22.68 27.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.157 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4566 ' ' GLY . . . . . 0.435 ' HA2' ' HB3' ' A' 4584 ' ' LYS . . . -69.97 -15.43 71.73 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.54 -176.066 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4567 ' ' ALA . . . . . . . . . . . . . . . -103.47 5.27 36.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.806 0.336 . . . . 0.0 111.097 -174.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4568 ' ' TYR . . . . . . . . . . . . . 12.0 m-30 -74.77 150.76 39.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -175.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4569 ' ' SER . . . . . . . . . . . . . 89.4 p -69.91 161.46 29.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.92 -167.201 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4570 ' ' LYS . . . . . 0.632 ' HD3' ' H ' ' A' 4570 ' ' LYS . 0.0 OUTLIER -88.72 133.02 34.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -174.071 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A 4571 ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -125.73 -30.28 3.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 178.217 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4572 ' ' LEU . . . . . 0.507 ' HB3' ' SD ' ' A' 4392 ' ' MET . 15.4 mt -105.33 134.03 49.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 -163.052 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4573 ' ' THR . . . . . . . . . . . . . 61.8 p -122.12 147.91 45.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.201 178.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4574 ' ' CYS . . . . . 0.495 ' HB3' ' HD2' ' A' 4575 ' ' PRO . 1.2 m -129.96 -174.07 0.36 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.661 0.743 . . . . 0.0 110.866 177.736 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4575 ' ' PRO . . . . . 0.53 ' O ' ' HB2' ' A' 4576 ' ' LYS . 70.4 Cg_exo -49.85 -48.42 19.48 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.685 2.257 . . . . 0.0 112.341 -178.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4576 ' ' LYS . . . . . 0.53 ' HB2' ' O ' ' A' 4575 ' ' PRO . 84.3 tttt 165.11 110.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.86 -173.534 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4577 ' ' THR . . . . . 0.532 ' H ' ' HA3' ' A' 4393 ' ' GLY . 86.5 m -155.01 -74.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.218 168.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4578 ' ' LYS . . . . . 0.489 ' HG3' HG22 ' A' 4577 ' ' THR . 94.5 mttt -119.29 -7.35 10.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.941 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4579 ' ' LEU . . . . . . . . . . . . . 4.1 mp 63.21 -108.5 0.25 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 177.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4580 ' ' LYS . . . . . . . . . . . . . 99.4 mttt -76.63 110.63 11.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -174.31 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4581 ' ' ILE . . . . . 0.766 ' O ' HD12 ' A' 4581 ' ' ILE . 2.0 pp -138.36 156.43 30.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.209 -172.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4582 ' ' SER . . . . . . . . . . . . . 64.1 p -74.55 172.02 12.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 169.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4583 ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -62.22 -37.3 84.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.996 178.404 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4584 ' ' LYS . . . . . 0.435 ' HB3' ' HA2' ' A' 4566 ' ' GLY . 87.8 tttt -67.86 -41.47 82.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.846 176.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4585 ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.73 -31.92 72.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.001 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4586 ' ' ALA . . . . . 0.536 ' HB2' HD13 ' A' 4581 ' ' ILE . . . -58.45 -30.71 67.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.126 -179.295 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4587 ' ' LEU . . . . . . . . . . . . . 62.8 mt -67.67 -16.71 64.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.956 -172.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4588 ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -63.03 -35.22 79.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -171.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4589 ' ' ARG . . . . . . . . . . . . . 66.3 ttt180 -103.99 -6.55 21.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.916 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4590 ' ' SER . . . . . . . . . . . . . 30.6 t -60.79 130.18 45.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.81 175.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4591 ' ' MET . . . . . . . . . . . . . 59.4 ttm -105.04 119.76 39.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.825 -168.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4592 ' ' VAL . . . . . . . . . . . . . 77.8 t -89.65 127.01 42.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.08 179.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4593 ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -67.86 -29.94 69.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.891 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4594 ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 61.05 41.76 13.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 173.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4595 ' ' GLY . . . . . . . . . . . . . . . -140.38 -62.19 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.426 175.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4596 ' ' THR . . . . . . . . . . . . . 64.1 p -113.83 11.16 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.815 0.341 . . . . 0.0 111.115 -179.727 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4597 ' ' GLY . . . . . . . . . . . . . . . 84.94 32.26 21.46 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.562 177.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4598 ' ' LEU . . . . . . . . . . . . . 87.3 mt -96.54 108.03 20.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.979 -179.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4599 ' ' ARG . . . . . . . . . . . . . 59.2 ttm-85 -81.89 126.94 32.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 170.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4600 ' ' LEU . . . . . . . . . . . . . 46.0 mt -113.87 138.83 49.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -174.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4601 ' ' LEU . . . . . 0.533 ' HB2' HG11 ' A' 4417 ' ' VAL . 51.4 tp -97.05 124.95 41.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.895 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4602 ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -72.33 137.07 46.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 178.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4603 ' ' ALA . . . . . . . . . . . . . . . -153.53 151.75 30.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.071 170.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4604 ' ' ALA . . . . . 0.415 ' HB2' ' OG1' ' A' 4423 ' ' THR . . . -125.07 24.96 7.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.115 177.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A 4605 ' ' ALA . . . . . . . . . . . . . . . 55.07 50.6 15.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A 4606 ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.933 -179.351 . . . . . . . . 0 0 . 1 stop_ save_